4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]-3-(hydroxymethyl)benzonitrile

4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]-3-(hydroxymethyl)benzonitrile

CAS: 1187671-15-3

Formula: C20H24N2O2

SMILES: CN(C)CCCC(O)(C1=CC=CC=C1)C1=C(CO)C=C(C=C1)C#N

IUPAC: 4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]-3-(hydroxymethyl)benzonitrile

InChI: InChI=1/C20H24N2O2/c1-22(2)12-6-11-20(24,18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23/h3-5,7-10,13,23-24H,6,11-12,15H2,1-2H3

Composition: C (74.05%), H (7.46%), N (8.63%), O (9.86%)

Molar Mass: 324.424

Atom Count: 48

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	324.183778021
Formal Charge	0
FSP3	0.35
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GSZABHHMLOJLEK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.31
Topological Polar Surface Area	67.49
Polarizability	37.4
Ring Count	2
Rotatable Bond Count	7

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