3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-amine

• ChemBase ID: 309535
• Molecular Formular: C14H19NO
• Molecular Mass: 217.30676
• Monoisotopic Mass: 217.14666423
• SMILES: O1c2c(C(CC31CCCCC3)N)cccc2
• Canonical SMILES: NC1CC2(CCCCC2)Oc2c1cccc2
• InChI: InChI=1S/C14H19NO/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10,15H2
• InChIKey: PFYRBUIZTFCYNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-amine
• IUPAC Traditional name: 3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-amine
• Synonyms: 3,4-dihydrospiro[chromene-2,1'-cyclohexan]-4-amine

Database IDs

• MDL Number: MFCD10006221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3259735
• LogD (pH = 7.4): 0.88019997
• Log P: 2.612584
• Molar Refractivity: 64.465 cm^3
• Polarizability: 25.819633 Å^3
• Polar Surface Area: 35.25 Å^2