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3-chloro-4-methoxy-N-{[2-(2-phenylethoxy)phenyl]methyl}aniline

3-chloro-4-methoxy-N-{[2-(2-phenylethoxy)phenyl]methyl}aniline

CAS: 1040685-93-5

Formula: C22H22ClNO2

SMILES: COC1=C(Cl)C=C(NCC2=C(OCCC3=CC=CC=C3)C=CC=C2)C=C1

IUPAC: 3-chloro-4-methoxy-N-{[2-(2-phenylethoxy)phenyl]methyl}aniline

InChI: InChI=1S/C22H22ClNO2/c1-25-22-12-11-19(15-20(22)23)24-16-18-9-5-6-10-21(18)26-14-13-17-7-3-2-4-8-17/h2-12,15,24H,13-14,16H2,1H3

Composition: C (71.83%), H (6.03%), Cl (9.64%), N (3.81%), O (8.70%)

Molar Mass: 367.87

Atom Count: 48

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 367.1339067
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JFPATHMPJYOCMD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 107.96
Topological Polar Surface Area 30.49
Polarizability 41.18
Ring Count 3
Rotatable Bond Count 8

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