3-chloro-4-methoxy-N-[2-(3-methylphenoxy)propyl]aniline

3-chloro-4-methoxy-N-[2-(3-methylphenoxy)propyl]aniline

CAS: 1040685-61-7

Formula: C17H20ClNO2

SMILES: COC1=C(Cl)C=C(NCC(C)OC2=CC(C)=CC=C2)C=C1

IUPAC: 3-chloro-4-methoxy-N-[2-(3-methylphenoxy)propyl]aniline

InChI: InChI=1/C17H20ClNO2/c1-12-5-4-6-15(9-12)21-13(2)11-19-14-7-8-17(20-3)16(18)10-14/h4-10,13,19H,11H2,1-3H3

Composition: C (66.77%), H (6.59%), Cl (11.59%), N (4.58%), O (10.46%)

Molar Mass: 305.8

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	305.1182566
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZBEBPSDMMSGGRI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.53
Topological Polar Surface Area	30.49
Polarizability	33.43
Ring Count	2
Rotatable Bond Count	6

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