methyl[3-(4-methylphenoxy)propyl]amine

• ChemBase ID: 312288
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(ccc(cc1)C)OCCCNC
• Canonical SMILES: CNCCCOc1ccc(cc1)C
• InChI: InChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)13-9-3-8-12-2/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: CXCMQFLZQKLNQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(4-methylphenoxy)propyl]amine
• IUPAC Traditional name: methyl[3-(4-methylphenoxy)propyl]amine
• Synonyms: N-methyl-3-(4-methylphenoxy)-1-propanamine

Database IDs

• CAS Number: 915923-08-9
• MDL Number: MFCD08691882

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1989768
• LogD (pH = 7.4): -0.56924653
• Log P: 2.0245523
• Molar Refractivity: 55.1522 cm^3
• Polarizability: 21.683401 Å^3
• Polar Surface Area: 21.26 Å^2