1-(4-methoxyphenyl)-2-methylpropan-1-amine hydrochloride

• ChemBase ID: 120253
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: C(c1ccc(cc1)OC)(N)C(C)C.Cl
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)N.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-8(2)11(12)9-4-6-10(13-3)7-5-9;/h4-8,11H,12H2,1-3H3;1H
• InChIKey: KXRHAKAYGDRQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-2-methylpropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-methoxyphenyl)-2-methylpropan-1-amine hydrochloride
• Synonyms: 1-(4-methoxyphenyl)-2-methylpropan-1-amine hydrochloride

Database IDs

• PubChem SID: 162214606
• PubChem CID: 71307993

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7656038
• LogD (pH = 7.4): -0.07749614
• Log P: 2.2454133
• Molar Refractivity: 54.409 cm^3
• Polarizability: 21.758638 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds