[1-cyclopropyl-2-(4-methylphenyl)ethyl](ethyl)amine

• ChemBase ID: 283195
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: C1(CC1)C(Cc1ccc(cc1)C)NCC
• Canonical SMILES: CCNC(C1CC1)Cc1ccc(cc1)C
• InChI: InChI=1S/C14H21N/c1-3-15-14(13-8-9-13)10-12-6-4-11(2)5-7-12/h4-7,13-15H,3,8-10H2,1-2H3
• InChIKey: KQSGRAMLNUKHIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-cyclopropyl-2-(4-methylphenyl)ethyl](ethyl)amine
• IUPAC Traditional name: [1-cyclopropyl-2-(4-methylphenyl)ethyl](ethyl)amine
• Synonyms: [1-cyclopropyl-2-(4-methylphenyl)ethyl](ethyl)amine

Database IDs

• MDL Number: MFCD12154665
• PubChem SID: 180668726
• PubChem CID: 54595664

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.29662916
• LogD (pH = 7.4): 0.67660165
• Log P: 3.5308294
• Molar Refractivity: 65.463 cm^3
• Polarizability: 25.771305 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.36

Product Information

• Purity: 95%