2-methoxy-3-phenylpropan-1-amine

• ChemBase ID: 15422
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C(c1ccccc1)C(OC)CN
• Canonical SMILES: NCC(Cc1ccccc1)OC
• InChI: InChI=1S/C10H15NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
• InChIKey: DIOGSRGTNMACOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-phenylpropan-1-amine
• IUPAC Traditional name: 2-methoxy-3-phenylpropan-1-amine
• Synonyms: 2-Methoxy-3-phenyl-1-propanamine

Database IDs

• MDL Number: MFCD06248075
• PubChem SID: 160978729
• PubChem CID: 45074956

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5674359
• LogD (pH = 7.4): -0.49529788
• Log P: 1.400467
• Molar Refractivity: 50.0001 cm^3
• Polarizability: 19.852566 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false