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

• ChemBase ID: 253751
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c12c(CCC1NC)cccc2
• Canonical SMILES: CNC1CCc2c1cccc2
• InChI: InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3
• InChIKey: AIXUYZODYPPNAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: N-methyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: N-2,3-dihydro-1H-inden-1-yl-N-methylamine; INDAN-1-YL-METHYL-AMINE

Database IDs

• CAS Number: 2084-72-2
• MDL Number: MFCD09047204
• PubChem SID: 164309661
• PubChem CID: 16774798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.131404
• LogD (pH = 7.4): -0.28528202
• Log P: 2.0758188
• Molar Refractivity: 46.8868 cm^3
• Polarizability: 18.460804 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.924

Product Information

• Purity: 95%; 98%