Compound 84
  CheckMol                        TMF02:r0:m0
MF=C9H13NO MW=151.21
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943    0.7599   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    0.7837   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770    0.0475   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4713    0.8074   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7655    0.0712   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4594    2.3273   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0598    0.8312   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7536    3.0872   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0479    2.3510   -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
  5  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 10 11 01  0  1  0  0
M  END

2D Structure

N-benzylethanolamine

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Chemical Name - N-benzylethanolamine
Mol Weight - 151.208
Smiles - OCCNCc1ccccc1

Property Name	Property Value
Mol Name	N-benzylethanolamine
Molweight	151.208
Monoisotopic Mass	151.099714
Clogp	0.4956
Clogs	-1.285
H Acceptors	2
H Donors	2
Total Surface Area	132.35
Relative Psa	0.18557
Polar Surface Area	32.26
Druglikeness	-0.25466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.81818
Molecular Flexibility	0.56442
Molecular Complexity	0.51299
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	OCCNCc1ccccc1
InChIKey	InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChI	XNIOWJUQPMKCIJ-UHFFFAOYSA-N

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1 — N-benzylethanolamine | 2 — N-benzylethanolamine