N-[4-(2,4-dichlorophenoxy)butyl]-3,4-dimethylaniline

N-[4-(2,4-dichlorophenoxy)butyl]-3,4-dimethylaniline

CAS: 356538-55-1

Formula: C18H21Cl2NO

SMILES: CC1=C(C)C=C(NCCCCOC2=C(Cl)C=C(Cl)C=C2)C=C1

IUPAC: N-[4-(2,4-dichlorophenoxy)butyl]-3,4-dimethylaniline

InChI: InChI=1S/C18H21Cl2NO/c1-13-5-7-16(11-14(13)2)21-9-3-4-10-22-18-8-6-15(19)12-17(18)20/h5-8,11-12,21H,3-4,9-10H2,1-2H3

Composition: C (63.91%), H (6.26%), Cl (20.96%), N (4.14%), O (4.73%)

Molar Mass: 338.27

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	337.1000197
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SKSJINWHQFRVAL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.01
Topological Polar Surface Area	21.26
Polarizability	36.38
Ring Count	2
Rotatable Bond Count	7

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