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benzyl[(4-chlorophenyl)methyl]amine

benzyl[(4-chlorophenyl)methyl]amine

CAS: 13541-00-9

Formula: C14H14ClN

SMILES: ClC1=CC=C(CNCC2=CC=CC=C2)C=C1

IUPAC: benzyl[(4-chlorophenyl)methyl]amine

InChI: InChI=1S/C14H14ClN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2

Composition: C (72.57%), H (6.09%), Cl (15.30%), N (6.04%)

Molar Mass: 231.72

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.0814772
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey NLJKKSSMEUWPKM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.72
Topological Polar Surface Area 12.03
Polarizability 27.02
Ring Count 2
Rotatable Bond Count 4

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