[cyclopropyl(phenyl)methyl](oxan-2-ylmethyl)amine

• ChemBase ID: 243597
• Molecular Formular: C16H23NO
• Molecular Mass: 245.35992
• Monoisotopic Mass: 245.17796436
• SMILES: C1(CC1)C(NCC1OCCCC1)c1ccccc1
• Canonical SMILES: C1CCC(OC1)CNC(c1ccccc1)C1CC1
• InChI: InChI=1S/C16H23NO/c1-2-6-13(7-3-1)16(14-9-10-14)17-12-15-8-4-5-11-18-15/h1-3,6-7,14-17H,4-5,8-12H2
• InChIKey: GFWBIIJDRUSRLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [cyclopropyl(phenyl)methyl](oxan-2-ylmethyl)amine
• IUPAC Traditional name: [cyclopropyl(phenyl)methyl](oxan-2-ylmethyl)amine
• Synonyms: [cyclopropyl(phenyl)methyl](oxan-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD16210462
• PubChem SID: 164299507
• PubChem CID: 54940534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.050862085
• LogD (pH = 7.4): 1.0806025
• Log P: 3.2350967
• Molar Refractivity: 73.7739 cm^3
• Polarizability: 29.529242 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.305

Product Information

• Purity: 95%