N-[2-(2-chlorophenoxy)propyl]-4-(2-cyclohexylethoxy)aniline

N-[2-(2-chlorophenoxy)propyl]-4-(2-cyclohexylethoxy)aniline

CAS: 1040693-60-4

Formula: C23H30ClNO2

SMILES: CC(CNC1=CC=C(OCCC2CCCCC2)C=C1)OC1=C(Cl)C=CC=C1

IUPAC: N-[2-(2-chlorophenoxy)propyl]-4-(2-cyclohexylethoxy)aniline

InChI: InChI=1/C23H30ClNO2/c1-18(27-23-10-6-5-9-22(23)24)17-25-20-11-13-21(14-12-20)26-16-15-19-7-3-2-4-8-19/h5-6,9-14,18-19,25H,2-4,7-8,15-17H2,1H3

Composition: C (71.21%), H (7.79%), Cl (9.14%), N (3.61%), O (8.25%)

Molar Mass: 387.95

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	387.1965069
Formal Charge	0
FSP3	0.48
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IYRXYTIMCWHTDF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	112.91
Topological Polar Surface Area	30.49
Polarizability	43.83
Ring Count	3
Rotatable Bond Count	9

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