Compound 118
  CheckMol                        TMF02:r0:m0
MF=C10H15NO2 MW=181.23
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    0.7514   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2797    0.7632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150    2.2542   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6065    0.0117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0174   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182    3.0056   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9097    0.7632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5202   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9214    2.2660   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2129    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5161    0.7749   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8194    0.0352   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 10 01  0  1  0  0
M  END

2D Structure

Homoveratrylamine

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Chemical Name - Homoveratrylamine
Mol Weight - 181.234
Smiles - COc(ccc(CCN)c1)c1OC

Property Name	Property Value
Mol Name	Homoveratrylamine
Molweight	181.234
Monoisotopic Mass	181.110279
Clogp	0.9546
Clogs	-1.724
H Acceptors	3
H Donors	1
Total Surface Area	153.82
Relative Psa	0.22929
Polar Surface Area	44.48
Druglikeness	-1.9723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.46066
Molecular Complexity	0.67089
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	COc(ccc(CCN)c1)c1OC
InChIKey	InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChI	ANOUKFYBOAKOIR-UHFFFAOYSA-N

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1 — Homoveratrylamine | 2 — Homoveratrylamine