2-methyl-2,3-dihydro-1H-indol-1-amine hydrochloride

• ChemBase ID: 74534
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: N1(c2c(cccc2)CC1C)N.Cl
• Canonical SMILES: NN1C(C)Cc2c1cccc2.Cl
• InChI: InChI=1S/C9H12N2.ClH/c1-7-6-8-4-2-3-5-9(8)11(7)10;/h2-5,7H,6,10H2,1H3;1H
• InChIKey: RITRKULRSHGFQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2,3-dihydro-1H-indol-1-amine hydrochloride
• IUPAC Traditional name: 2-methyl-2,3-dihydroindol-1-amine hydrochloride
• Synonyms: 1-Amino-2-methylindoline hydrochloride

Database IDs

• CAS Number: 102789-79-7; 102789-79-6
• MDL Number: MFCD03788266
• PubChem SID: 162039453
• PubChem CID: 2737616

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2739673
• LogD (pH = 7.4): 1.85251
• Log P: 1.8682681
• Molar Refractivity: 57.2984 cm^3
• Polarizability: 17.622553 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%