1-[2-(benzyloxy)ethyl]cyclopropan-1-amine

• ChemBase ID: 285011
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1(CC1)(N)CCOCc1ccccc1
• Canonical SMILES: NC1(CCOCc2ccccc2)CC1
• InChI: InChI=1S/C12H17NO/c13-12(6-7-12)8-9-14-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2
• InChIKey: LIHZSLPGGSIALW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(benzyloxy)ethyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[2-(benzyloxy)ethyl]cyclopropan-1-amine
• Synonyms: 1-[2-(benzyloxy)ethyl]cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11037276
• PubChem SID: 180670542
• PubChem CID: 10997842

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5231414
• LogD (pH = 7.4): -1.1177294
• Log P: 1.5013317
• Molar Refractivity: 57.5411 cm^3
• Polarizability: 22.882164 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.903

Product Information

• Purity: 95%