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

• ChemBase ID: 262395
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c12c(CC(C1)NC)cccc2
• Canonical SMILES: CNC1Cc2c(C1)cccc2
• InChI: InChI=1S/C10H13N/c1-11-10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7H2,1H3
• InChIKey: SXWZQUCTTOBHJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-methyl-2,3-dihydro-1H-inden-2-amine
• Synonyms: N-methyl-2,3-dihydro-1H-inden-2-amine; INDAN-2-YL-METHYLAMINE; 2,3-dihydro-1H-inden-2-yl(methyl)amine

Database IDs

• CAS Number: 24445-44-1; 146737-65-7
• MDL Number: MFCD12027038
• PubChem SID: 164318305
• PubChem CID: 15023225

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3029957
• LogD (pH = 7.4): -0.66248924
• Log P: 1.9199114
• Molar Refractivity: 47.0408 cm^3
• Polarizability: 18.381376 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.464

Product Information

• Purity: 95%; 98%