(3-propoxyphenyl)methanamine

• ChemBase ID: 308150
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1c(OCCC)cccc1CN
• Canonical SMILES: CCCOc1cccc(c1)CN
• InChI: InChI=1S/C10H15NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
• InChIKey: FZZHOOAJILNNEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-propoxyphenyl)methanamine
• IUPAC Traditional name: (3-propoxyphenyl)methanamine
• Synonyms: (3-propoxybenzyl)amine

Database IDs

• CAS Number: 37806-33-0
• MDL Number: MFCD07754795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1599288
• LogD (pH = 7.4): -0.16652182
• Log P: 1.8206733
• Molar Refractivity: 50.2672 cm^3
• Polarizability: 19.91274 Å^3
• Polar Surface Area: 35.25 Å^2