N-[2-(2-chlorophenoxy)propyl]-3-(2-phenoxyethoxy)aniline

N-[2-(2-chlorophenoxy)propyl]-3-(2-phenoxyethoxy)aniline

CAS: 1040686-34-7

Formula: C23H24ClNO3

SMILES: CC(CNC1=CC(OCCOC2=CC=CC=C2)=CC=C1)OC1=C(Cl)C=CC=C1

IUPAC: N-[2-(2-chlorophenoxy)propyl]-3-(2-phenoxyethoxy)aniline

InChI: InChI=1/C23H24ClNO3/c1-18(28-23-13-6-5-12-22(23)24)17-25-19-8-7-11-21(16-19)27-15-14-26-20-9-3-2-4-10-20/h2-13,16,18,25H,14-15,17H2,1H3

Composition: C (69.43%), H (6.08%), Cl (8.91%), N (3.52%), O (12.06%)

Molar Mass: 397.9

Atom Count: 52

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	397.1444713
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LNBAGNMZUFYZKJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	113.04
Topological Polar Surface Area	39.72
Polarizability	43.78
Ring Count	3
Rotatable Bond Count	10

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