(2R)-2-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

(2R)-2-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

CAS: 15686-51-8

Formula: C21H26ClNO

SMILES: CN1CCC[C@@H]1CCOC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1

IUPAC: (2R)-2-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

InChI: InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21?/m1/s1

Composition: C (73.35%), H (7.62%), Cl (10.31%), N (4.07%), O (4.65%)

Molar Mass: 343.9

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	343.1702922
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YNNUSGIPVFPVBX-VQCQRNETSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.65
Topological Polar Surface Area	12.47
Polarizability	39.86
Ring Count	3
Rotatable Bond Count	6

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