2-phenyl-3,4-dihydro-2H-1-benzopyran-4-amine

• ChemBase ID: 279614
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: O1c2c(C(CC1c1ccccc1)N)cccc2
• Canonical SMILES: NC1CC(Oc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C15H15NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15H,10,16H2
• InChIKey: JYZJYCJGHCCJLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-amine
• IUPAC Traditional name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-amine
• Synonyms: 2-phenyl-3,4-dihydro-2H-chromen-4-ylamine

Database IDs

• MDL Number: MFCD08444623
• PubChem SID: 164335524
• PubChem CID: 12257919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.26427677
• LogD (pH = 7.4): 0.943761
• Log P: 2.673785
• Molar Refractivity: 67.844 cm^3
• Polarizability: 26.954498 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.716

Product Information

• Purity: 95%