2-[4-(propan-2-yloxy)phenyl]cyclopentan-1-amine

• ChemBase ID: 248124
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: C1(c2ccc(OC(C)C)cc2)C(N)CCC1
• Canonical SMILES: CC(Oc1ccc(cc1)C1CCCC1N)C
• InChI: InChI=1S/C14H21NO/c1-10(2)16-12-8-6-11(7-9-12)13-4-3-5-14(13)15/h6-10,13-14H,3-5,15H2,1-2H3
• InChIKey: OGLPMUZEQSBRQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yloxy)phenyl]cyclopentan-1-amine
• IUPAC Traditional name: 2-(4-isopropoxyphenyl)cyclopentan-1-amine
• Synonyms: 2-[4-(propan-2-yloxy)phenyl]cyclopentan-1-amine

Database IDs

• MDL Number: MFCD17224076
• PubChem SID: 164304034
• PubChem CID: 62795100

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.17750666
• LogD (pH = 7.4): 0.3155244
• Log P: 2.8437314
• Molar Refractivity: 66.5292 cm^3
• Polarizability: 26.479803 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.123

Product Information

• Purity: 95%