Compound 37
  CheckMol                        TMF02:r0:m0
MF=C10H14N2 MW=162.23
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   -0.7319   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5111   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -0.7437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.2194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2750    2.2666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9312   -0.6965   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6326   -2.9513   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5618    1.5347   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9430   -2.1840   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  1  0  0
  1  4  1  0  1  0  0
  2  5 02  0  1  0  0
  2  6 01  0  1  0  0
  3  7  1  0  1  0  0
  4  8  1  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11  1  0  1  0  0
  9 12 02  0  1  0  0
  8 11  1  0  1  0  0
 10 12 01  0  1  0  0
M  END

2D Structure

N-Phenyldiethylenediamine

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Chemical Name - N-Phenyldiethylenediamine
Mol Weight - 162.235
Smiles - C(C1)NCCN1c1ccccc1

Property Name	Property Value
Mol Name	N-Phenyldiethylenediamine
Molweight	162.235
Monoisotopic Mass	162.115698
Clogp	1.1851
Clogs	-1.583
H Acceptors	2
H Donors	1
Total Surface Area	136.56
Relative Psa	0.10992
Polar Surface Area	15.27
Druglikeness	2.8398
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.66667
Molecular Flexibility	0.36829
Molecular Complexity	0.51517
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	4
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Basic Nitrogens	1
Smiles	C(C1)NCCN1c1ccccc1
InChIKey	InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChI	YZTJYBJCZXZGCT-UHFFFAOYSA-N

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1 — N-Phenyldiethylenediamine | 2 — N-Phenyldiethylenediamine