2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine

• ChemBase ID: 265037
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(c2c(CC1C)cccc2)CCN
• Canonical SMILES: NCCN1C(C)Cc2c1cccc2
• InChI: InChI=1S/C11H16N2/c1-9-8-10-4-2-3-5-11(10)13(9)7-6-12/h2-5,9H,6-8,12H2,1H3
• InChIKey: RHHPLMVQTQHOJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
• Synonyms: 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09807114
• PubChem SID: 164320947
• PubChem CID: 20116695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2573754
• LogD (pH = 7.4): -0.40937886
• Log P: 1.7407694
• Molar Refractivity: 56.1648 cm^3
• Polarizability: 21.422655 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.335

Product Information

• Purity: 95%