2,4-dichloro-N-{[3-(3-methylbutoxy)phenyl]methyl}aniline

2,4-dichloro-N-{[3-(3-methylbutoxy)phenyl]methyl}aniline

CAS: 1040692-22-5

Formula: C18H21Cl2NO

SMILES: CC(C)CCOC1=CC=CC(CNC2=C(Cl)C=C(Cl)C=C2)=C1

IUPAC: 2,4-dichloro-N-{[3-(3-methylbutoxy)phenyl]methyl}aniline

InChI: InChI=1S/C18H21Cl2NO/c1-13(2)8-9-22-16-5-3-4-14(10-16)12-21-18-7-6-15(19)11-17(18)20/h3-7,10-11,13,21H,8-9,12H2,1-2H3

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	IJBXPIYQXZEZOL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	95.36
Topological Polar Surface Area	21.26
Polarizability	36.5
Ring Count	2
Rotatable Bond Count	7

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