1-methyl-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 236019
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c12C(C(Cc1cccc2)N)C
• Canonical SMILES: CC1C(N)Cc2c1cccc2
• InChI: InChI=1S/C10H13N/c1-7-9-5-3-2-4-8(9)6-10(7)11/h2-5,7,10H,6,11H2,1H3
• InChIKey: DOMIRQRGULWJML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 1-methyl-2,3-dihydro-1H-inden-2-amine
• Synonyms: 1-methyl-2,3-dihydro-1H-inden-2-amine

Database IDs

• MDL Number: MFCD19204290
• PubChem SID: 164291929
• PubChem CID: 12337206

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.166424
• LogD (pH = 7.4): -0.61622304
• Log P: 1.8523039
• Molar Refractivity: 46.7378 cm^3
• Polarizability: 18.380539 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.837

Product Information

• Purity: 95%