(cyclopropylmethyl)(1-phenylethyl)amine

• ChemBase ID: 267127
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(CC1)CNC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)NCC1CC1
• InChI: InChI=1S/C12H17N/c1-10(13-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3
• InChIKey: DBZLFDOJZXGGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(1-phenylethyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(1-phenylethyl)amine
• Synonyms: (cyclopropylmethyl)(1-phenylethyl)amine

Database IDs

• CAS Number: 356539-54-3
• MDL Number: MFCD03211314
• PubChem SID: 164323037
• PubChem CID: 3863026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4921688
• LogD (pH = 7.4): 0.1810465
• Log P: 2.728747
• Molar Refractivity: 55.6668 cm^3
• Polarizability: 22.237724 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%