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

• ChemBase ID: 808581
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1C(c2ccc(cc2C1)C)N
• Canonical SMILES: Cc1ccc2c(c1)CCC2N
• InChI: InChI=1S/C10H13N/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6,10H,3,5,11H2,1H3
• InChIKey: GPCQIJHZALEOMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 5-methyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: 2,3-DIHYDRO-5-METHYL-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 168902-79-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85300034
• LogD (pH = 7.4): -0.144824
• Log P: 2.1566598
• Molar Refractivity: 47.1534 cm^3
• Polarizability: 18.37911 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%