6'-methoxy-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride

• ChemBase ID: 246075
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: C12(CC1N)c1c(CC2)ccc(c1)OC.Cl
• Canonical SMILES: COc1ccc2c(c1)C1(CC2)CC1N.Cl
• InChI: InChI=1S/C12H15NO.ClH/c1-14-9-3-2-8-4-5-12(7-11(12)13)10(8)6-9;/h2-3,6,11H,4-5,7,13H2,1H3;1H
• InChIKey: RNOYYEUTYDPZFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-methoxy-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride
• IUPAC Traditional name: 6'-methoxy-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride
• Synonyms: 6'-methoxy-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride

Database IDs

• MDL Number: MFCD23144215
• PubChem SID: 164301985
• PubChem CID: 71757875

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.350191
• LogD (pH = 7.4): -0.23210707
• Log P: 1.6089076
• Molar Refractivity: 55.7969 cm^3
• Polarizability: 21.970516 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.781

Product Information

• Purity: 95%