Chem Nn Dibenzylethanolamine

Compound 93
  CheckMol                        TMF02:r0:m0
MF=C16H19NO MW=241.33
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2870    0.7557   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609    0.7793   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479    0.0472   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491    2.2906   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4349    0.8029   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5385    3.0580   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7219    0.0708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4231    2.3142   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5267    4.5694   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2279    2.3260   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0088    0.8265   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7101    3.0699   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2161    5.3368   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0826    3.0935   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.9970    2.3378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0945    4.6048   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17 02  0  1  0  0
 15 18 02  0  1  0  0
 14 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

N,N-Dibenzylethanolamine

₹ 0.00 0.00

Chemical Name - N,N-Dibenzylethanolamine
Mol Weight - 241.333
Smiles - OCCN(Cc1ccccc1)Cc1ccccc1

Property Name	Property Value
Mol Name	N,N-Dibenzylethanolamine
Molweight	241.333
Monoisotopic Mass	241.146664
Clogp	2.1802
Clogs	-2.246
H Acceptors	2
H Donors	1
Total Surface Area	204.71
Relative Psa	0.081335
Polar Surface Area	23.47
Druglikeness	2.1132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61111
Molecular Flexibility	0.53325
Molecular Complexity	0.49511
Fragments	1
Non H Atoms	18
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	6
Symmetric Atoms	9
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	OCCN(Cc1ccccc1)Cc1ccccc1
InChIKey	InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChI	WTTWSMJHJFNCQB-UHFFFAOYSA-N

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N,N-Dibenzylethanolamine