(2-phenylethyl)(propyl)amine

• ChemBase ID: 144106
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: CCCNCCc1ccccc1
• Canonical SMILES: CCCNCCc1ccccc1
• InChI: InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
• InChIKey: IIIRPZWDICEMGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(propyl)amine
• IUPAC Traditional name: (2-phenylethyl)(propyl)amine
• Synonyms: (2-Phenylethyl)propylamine; (2-phenylethyl)propylamine

Database IDs

• CAS Number: 27906-91-8
• MDL Number: MFCD03724002
• PubChem SID: 162238323
• PubChem CID: 3142088

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53161085
• LogD (pH = 7.4): -0.06496584
• Log P: 2.6995862
• Molar Refractivity: 53.3336 cm^3
• Polarizability: 21.058664 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H17N

DETAILS

Sigma Aldrich - CBR00107

Other Notes
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Legal Information
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