3,4-dichloro-N-[2-(3-methylphenoxy)propyl]aniline

3,4-dichloro-N-[2-(3-methylphenoxy)propyl]aniline

CAS: 1040688-80-9

Formula: C16H17Cl2NO

SMILES: CC(CNC1=CC(Cl)=C(Cl)C=C1)OC1=CC(C)=CC=C1

IUPAC: 3,4-dichloro-N-[2-(3-methylphenoxy)propyl]aniline

InChI: InChI=1/C16H17Cl2NO/c1-11-4-3-5-14(8-11)20-12(2)10-19-13-6-7-15(17)16(18)9-13/h3-9,12,19H,10H2,1-2H3

Composition: C (61.95%), H (5.52%), Cl (22.85%), N (4.52%), O (5.16%)

Molar Mass: 310.22

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	309.0687196
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BJALYIMBLKBLOR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	85.87
Topological Polar Surface Area	21.26
Polarizability	32.78
Ring Count	2
Rotatable Bond Count	5

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