3-(benzyloxy)-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline

3-(benzyloxy)-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline

CAS: 1040688-42-3

Formula: C22H22ClNO2

SMILES: CC1=C(OCCNC2=CC(OCC3=CC=CC=C3)=CC=C2)C=CC(Cl)=C1

IUPAC: 3-(benzyloxy)-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline

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

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	FTAPHEBDXLQOHU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.73
Topological Polar Surface Area	30.49
Polarizability	41.16
Ring Count	3
Rotatable Bond Count	8

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