1-(3-chloro-4-methoxyphenyl)methanamine

1-(3-chloro-4-methoxyphenyl)methanamine

CAS: 115514-77-7

Formula: C8H10ClNO

SMILES: COC1=CC=C(CN)C=C1Cl

IUPAC: 1-(3-chloro-4-methoxyphenyl)methanamine

InChI: InChI=1S/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3

Composition: C (55.99%), H (5.87%), Cl (20.66%), N (8.16%), O (9.32%)

Molar Mass: 171.62

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.0450916
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OCNMSDZALRAYEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.8
Topological Polar Surface Area	35.25
Polarizability	18.09
Ring Count	1
Rotatable Bond Count	2

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