2-[cyclopentyl(methyl)amino]-5-fluorobenzaldehyde

• ChemBase ID: 276615
• Molecular Formular: C13H16FNO
• Molecular Mass: 221.2706432
• Monoisotopic Mass: 221.12159236
• SMILES: c1(c(cc(cc1)F)C=O)N(C1CCCC1)C
• Canonical SMILES: O=Cc1cc(F)ccc1N(C1CCCC1)C
• InChI: InChI=1S/C13H16FNO/c1-15(12-4-2-3-5-12)13-7-6-11(14)8-10(13)9-16/h6-9,12H,2-5H2,1H3
• InChIKey: GJEHUUHWWBSQHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclopentyl(methyl)amino]-5-fluorobenzaldehyde
• IUPAC Traditional name: 2-[cyclopentyl(methyl)amino]-5-fluorobenzaldehyde
• Synonyms: 2-[cyclopentyl(methyl)amino]-5-fluorobenzaldehyde

Database IDs

• MDL Number: MFCD11639791
• PubChem SID: 164332525
• PubChem CID: 43312972

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.2911851
• Log P: 3.2911959
• Molar Refractivity: 63.7002 cm^3
• Polarizability: 23.341496 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2903411

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.726

Product Information

• Purity: 95%