N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-propoxyaniline

N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-propoxyaniline

CAS: 1040688-64-9

Formula: C18H22ClNO2

SMILES: CCCOC1=CC=C(NCCOC2=C(C)C=C(Cl)C=C2)C=C1

IUPAC: N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-propoxyaniline

InChI: InChI=1S/C18H22ClNO2/c1-3-11-21-17-7-5-16(6-8-17)20-10-12-22-18-9-4-15(19)13-14(18)2/h4-9,13,20H,3,10-12H2,1-2H3

Composition: C (67.60%), H (6.93%), Cl (11.08%), N (4.38%), O (10.00%)

Molar Mass: 319.83

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.1339067
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DNSBPOJLCXLVNB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.39
Topological Polar Surface Area	30.49
Polarizability	35.24
Ring Count	2
Rotatable Bond Count	8

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