1-(3,4-dimethoxyphenyl)propan-1-amine hydrochloride

1-(3,4-dimethoxyphenyl)propan-1-amine hydrochloride

CAS: 104174-57-4

Formula: C11H18ClNO2

SMILES: Cl.CCC(N)C1=CC(OC)=C(OC)C=C1

IUPAC: 1-(3,4-dimethoxyphenyl)propan-1-amine hydrochloride

InChI: InChI=1/C11H17NO2.ClH/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3;/h5-7,9H,4,12H2,1-3H3;1H

Composition: C (57.02%), H (7.83%), Cl (15.30%), N (6.04%), O (13.81%)

Molar Mass: 231.72

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	231.1026065
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SEUUTSPOQSQOPW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.4
Topological Polar Surface Area	44.48
Polarizability	22.41
Ring Count	1
Rotatable Bond Count	4

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