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1148-06-7 | 1H-Indole-3-ethanamine, α-phenyl-
CAS No: 1148-06-7 Catalog No: AG000F8L MDL No:MFCD11868964
Product Description
Catalog Number:
AG000F8L
Chemical Name:
1H-Indole-3-ethanamine, α-phenyl-
CAS Number:
1148-06-7
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
MDL Number:
MFCD11868964
IUPAC Name:
2-(1H-indol-3-yl)-1-phenylethanamine
InChI:
InChI=1S/C16H16N2/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15,18H,10,17H2
InChI Key:
QHVKSSQVEABZAP-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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