methyl(3-phenoxypropyl)amine

• ChemBase ID: 256636
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(CCCOc1ccccc1)C
• Canonical SMILES: CNCCCOc1ccccc1
• InChI: InChI=1S/C10H15NO/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
• InChIKey: SBOUHGZVYFYWMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(3-phenoxypropyl)amine
• IUPAC Traditional name: methyl(3-phenoxypropyl)amine
• Synonyms: N-methyl-N-(3-phenoxypropyl)amine; N-methyl-3-phenoxy-1-propanamine

Database IDs

• CAS Number: 132424-10-3
• MDL Number: MFCD08691933
• PubChem SID: 164312546
• PubChem CID: 22067856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7123982
• LogD (pH = 7.4): -1.082668
• Log P: 1.5111309
• Molar Refractivity: 50.111 cm^3
• Polarizability: 19.91774 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.93

Product Information

• Purity: 95%