(1-phenylcyclopentyl)methanamine

• ChemBase ID: 4144
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1CCCC1(c1ccccc1)CN
• Canonical SMILES: NCC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
• InChIKey: SJWOFBVBNFLWLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylcyclopentyl)methanamine
• IUPAC Traditional name: (1-phenylcyclopentyl)methanamine
• Synonyms: 1-(1-phenylcyclopentyl)methanamine; 1-(1-phenylcyclopentyl)methylamine; C-(1-Phenyl-cyclopentyl)-methylamine; 1-(1-PHENYLCYCLOPENTYL)METHANAMINE; 1-Phenylcyclopentanemethylamine; 1-(1-phenylcyclopentyl)methylamine; (1-phenylcyclopentyl)methylamine

Database IDs

• CAS Number: 17511-89-6
• MDL Number: MFCD00995874
• PubChem SID: 160967576; 46505106
• PubChem CID: 205131

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.43005642
• LogD (pH = 7.4): 0.52311367
• Log P: 2.5560606
• Molar Refractivity: 55.5559 cm^3
• Polarizability: 22.157375 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.88
• LOG S: -3.47
• Solubility (Water): 6.00e-02 g/l

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.985

Product Information

• Purity: 95%

DETAILS

DrugBank - DB04577

• Drug Groups: experimental
• Affected Organisms: Humans and other mammals