N-cyclopropyl-6,7-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine

• ChemBase ID: 235618
• Molecular Formular: C14H19NO
• Molecular Mass: 217.30676
• Monoisotopic Mass: 217.14666423
• SMILES: c12c(cc(c(c1)C)C)OCCC2NC1CC1
• Canonical SMILES: Cc1cc2OCCC(c2cc1C)NC1CC1
• InChI: InChI=1S/C14H19NO/c1-9-7-12-13(15-11-3-4-11)5-6-16-14(12)8-10(9)2/h7-8,11,13,15H,3-6H2,1-2H3
• InChIKey: FTXIDCPLHNXGCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-6,7-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine
• IUPAC Traditional name: N-cyclopropyl-6,7-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine
• Synonyms: N-cyclopropyl-6,7-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine

Database IDs

• MDL Number: MFCD12187914
• PubChem SID: 164291528
• PubChem CID: 43512155

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22634643
• LogD (pH = 7.4): 1.240751
• Log P: 2.8145325
• Molar Refractivity: 65.6294 cm^3
• Polarizability: 25.66064 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.906

Product Information

• Purity: 95%