(2-propoxyphenyl)methanamine

• ChemBase ID: 24305
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(OCCC)cccc1)CN
• Canonical SMILES: CCCOc1ccccc1CN
• InChI: InChI=1S/C10H15NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7-8,11H2,1H3
• InChIKey: OGRKHGGNPBWHSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-propoxyphenyl)methanamine
• IUPAC Traditional name: (2-propoxyphenyl)methanamine
• Synonyms: (2-Propoxyphenyl)methanamine; (2-propoxybenzyl)amine

Database IDs

• CAS Number: 37806-31-8
• MDL Number: MFCD06212925
• PubChem SID: 160987612
• PubChem CID: 16795910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0747639
• LogD (pH = 7.4): 0.26247156
• Log P: 1.8206733
• Molar Refractivity: 50.2672 cm^3
• Polarizability: 19.912956 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