[1-(5-chlorothiophen-2-yl)cyclopentyl]methanamine hydrochloride

• ChemBase ID: 55668
• Molecular Formular: C10H15Cl2NS
• Molecular Mass: 252.2038
• Monoisotopic Mass: 251.03022585
• SMILES: c1(sc(cc1)Cl)C1(CN)CCCC1.Cl
• Canonical SMILES: NCC1(CCCC1)c1ccc(s1)Cl.Cl
• InChI: InChI=1S/C10H14ClNS.ClH/c11-9-4-3-8(13-9)10(7-12)5-1-2-6-10;/h3-4H,1-2,5-7,12H2;1H
• InChIKey: WQLXWRGPCDNMCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(5-chlorothiophen-2-yl)cyclopentyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(5-chlorothiophen-2-yl)cyclopentyl]methanamine hydrochloride
• Synonyms: {[1-(5-Chloro-2-thienyl)cyclopentyl]methyl}amine hydrochloride

Database IDs

• MDL Number: MFCD18071270
• PubChem SID: 162060431
• PubChem CID: 56773690

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.27733013
• LogD (pH = 7.4): 1.3826916
• Log P: 3.2389827
• Molar Refractivity: 56.4105 cm^3
• Polarizability: 22.667715 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false