2-phenoxycyclopentan-1-amine hydrochloride

• ChemBase ID: 273963
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: O(C1C(N)CCC1)c1ccccc1.Cl
• Canonical SMILES: NC1CCCC1Oc1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8,12H2;1H
• InChIKey: BGYSWNXGAPYEPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxycyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2-phenoxycyclopentan-1-amine hydrochloride
• Synonyms: 2-phenoxycyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18785588
• PubChem SID: 164329873
• PubChem CID: 22906810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0095471
• LogD (pH = 7.4): -0.16144313
• Log P: 1.988491
• Molar Refractivity: 51.9534 cm^3
• Polarizability: 21.025179 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 2.105

Product Information

• Purity: 95%