2-cyclopentyl-1-(4-phenoxyphenyl)ethan-1-amine

• ChemBase ID: 242474
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: C(c1ccc(Oc2ccccc2)cc1)(CC1CCCC1)N
• Canonical SMILES: NC(c1ccc(cc1)Oc1ccccc1)CC1CCCC1
• InChI: InChI=1S/C19H23NO/c20-19(14-15-6-4-5-7-15)16-10-12-18(13-11-16)21-17-8-2-1-3-9-17/h1-3,8-13,15,19H,4-7,14,20H2
• InChIKey: QKFUCIVFQJXZAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-1-(4-phenoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
• Synonyms: 2-cyclopentyl-1-(4-phenoxyphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD22566051
• PubChem SID: 164298384
• PubChem CID: 45253768

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.689382
• LogD (pH = 7.4): 2.4469624
• Log P: 4.695398
• Molar Refractivity: 86.2644 cm^3
• Polarizability: 34.40602 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.592

Product Information

• Purity: 95%