2-(3-methoxyphenyl)propan-2-amine hydrochloride

• ChemBase ID: 88542
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: NC(c1cc(ccc1)OC)(C)C.Cl
• Canonical SMILES: COc1cccc(c1)C(N)(C)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-10(2,11)8-5-4-6-9(7-8)12-3;/h4-7H,11H2,1-3H3;1H
• InChIKey: VDCLGQNCJHACKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-(3-methoxyphenyl)propan-2-amine hydrochloride
• Synonyms: 2-(3-Methoxyphenyl)propan-2-amine hydrochloride; 3-(2-Aminoprop-2-yl)anisole hydrochloride; alpha,alpha-Dimethyl-3-methoxybenzylamine hydrochloride

Database IDs

• PubChem SID: 162104671
• PubChem CID: 53256959

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3759744
• LogD (pH = 7.4): -0.7439307
• Log P: 1.6384947
• Molar Refractivity: 50.0516 cm^3
• Polarizability: 19.91201 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful