Chem 1 1 Naphthylethylamine

Compound 89
  CheckMol                        TMF02:r0:m0
MF=C12H13N MW=171.24
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920    0.7586   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5841    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2802    2.2759   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761    0.7705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5722   -1.4817   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1682    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8643    2.2877   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8643   -2.2285   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1563   -1.4698   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4602    0.7942   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1563    3.0464   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4483    2.3114   -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
  2  4  1  0  0  0  0
  3  5 01  0  1  0  0
  3  6 02  0  1  0  0
  5  7 01  0  2  0  0
  5  8 02  0  1  0  0
  6  9 01  0  1  0  0
  7 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 01  0  1  0  0
 11 13 01  0  1  0  0
  9 10 02  0  1  0  0
 12 13 02  0  1  0  0
M  END

1-(1-Naphthyl)ethylamine

₹ 0.00 0.00

Chemical Name - 1-(1-Naphthyl)ethylamine
Mol Weight - 171.242
Smiles - CC(c1cccc2ccccc12)N

Property Name	Property Value
Mol Name	1-(1-Naphthyl)ethylamine
Molweight	171.242
Monoisotopic Mass	171.104799
Clogp	2.1456
Clogs	-3.253
H Acceptors	1
H Donors	1
Total Surface Area	141.14
Relative Psa	0.10819
Polar Surface Area	26.02
Druglikeness	-1.551
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.21117
Molecular Complexity	0.63799
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Stereo Centers	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	3
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(c1cccc2ccccc12)N
InChIKey	InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3
InChI	RTCUCQWIICFPOD-UHFFFAOYSA-N

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1 - 1-(1-Naphthyl)ethylamine
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1-(1-Naphthyl)ethylamine