methyl[(1-phenylcyclopentyl)methyl]amine

• ChemBase ID: 30081
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(c2ccccc2)(CNC)CCCC1
• Canonical SMILES: CNCC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C13H19N/c1-14-11-13(9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,14H,5-6,9-11H2,1H3
• InChIKey: WZDURQDKDJMXOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-phenylcyclopentyl)methyl]amine
• IUPAC Traditional name: methyl[(1-phenylcyclopentyl)methyl]amine
• Synonyms: Methyl-(1-phenyl-cyclopentylmethyl)-amine

Database IDs

• MDL Number: MFCD06589807
• PubChem SID: 160993388
• PubChem CID: 3157296

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.23757987
• LogD (pH = 7.4): 0.341926
• Log P: 2.988641
• Molar Refractivity: 60.3305 cm^3
• Polarizability: 24.004404 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false