1-methyl-2,3-dihydro-1H-indol-4-amine

• ChemBase ID: 236798
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c12c(N(CC1)C)cccc2N
• Canonical SMILES: CN1CCc2c1cccc2N
• InChI: InChI=1S/C9H12N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6,10H2,1H3
• InChIKey: LHOKDTHCXJUSEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,3-dihydro-1H-indol-4-amine
• IUPAC Traditional name: 1-methyl-2,3-dihydroindol-4-amine
• Synonyms: 1-methyl-2,3-dihydro-1H-indol-4-amine

Database IDs

• MDL Number: MFCD19207651
• PubChem SID: 164292708
• PubChem CID: 55289001

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1980542
• LogD (pH = 7.4): 1.2909296
• Log P: 1.2922522
• Molar Refractivity: 48.4966 cm^3
• Polarizability: 17.332565 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.335

Product Information

• Purity: 95%