Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 304.22482 [g/mol] Molecular Formula C16H18BrN XLogP 4.7 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 5 Exact Mass 303.062262 MonoIsotopic Mass 303.062262 Topological Polar Surface Area 12 Heavy Atom Count 18 Formal Charge 0 Complexity 217 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[(4-bromophenyl)methyl]-1-phenylpropan-2-amine
Canonical SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Br
InChI: InChI=1/C16H18BrN/c1-13(11-14-5-3-2-4-6-14)18-12-15-7-9-16(17)10-8-15/
h2-10,13,18H,11-12H2,1H3
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