[1-(2-methoxyphenyl)propan-2-yl](methyl)amine

• ChemBase ID: 128325
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: CC(Cc1ccccc1OC)NC
• Canonical SMILES: CNC(Cc1ccccc1OC)C
• InChI: InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
• InChIKey: OEHAYUOVELTAPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyphenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: methoxyphenamine
• Synonyms: Methoxyphenamine

Database IDs

• CAS Number: 93-30-1
• PubChem SID: 162222633
• PubChem CID: 4117
• Chemspider ID: 3974
• Unique Ingredient Identifier: J3Z5SRI26Z
• Wikipedia Title: Methoxyphenamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1417725
• LogD (pH = 7.4): -0.46881613
• Log P: 2.0791595
• Molar Refractivity: 54.943 cm^3
• Polarizability: 21.683111 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only