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

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

CAS: 1040682-12-9

Formula: C18H21Cl2NO

SMILES: CCCCCOC1=CC=C(CNC2=C(Cl)C(Cl)=CC=C2)C=C1

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

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

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	JBTINZXCICWECH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	95.41
Topological Polar Surface Area	21.26
Polarizability	36.54
Ring Count	2
Rotatable Bond Count	8

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