dimethyl[2-(7-methyl-1H-indol-3-yl)ethyl]amine

• ChemBase ID: 125526
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: Cc1c2[nH]cc(CCN(C)C)c2ccc1
• Canonical SMILES: CN(CCc1c[nH]c2c1cccc2C)C
• InChI: InChI=1S/C13H18N2/c1-10-5-4-6-12-11(7-8-15(2)3)9-14-13(10)12/h4-6,9,14H,7-8H2,1-3H3
• InChIKey: PQSFTUCFMWBITK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(7-methyl-1H-indol-3-yl)ethyl]amine
• IUPAC Traditional name: 7,N,N-tmt
• Synonyms: 7,N,N-TMT

Database IDs

• CAS Number: 65882-39-5
• PubChem SID: 162219876
• PubChem CID: 47747
• CHEMBL: 20167
• Chemspider ID: 43445
• Wikipedia Title: 7,N,N-TMT

CALCULATED PROPERTIES

• Acid pKa: 17.485888
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5862804
• LogD (pH = 7.4): 0.6435177
• Log P: 2.8154871
• Molar Refractivity: 65.4834 cm^3
• Polarizability: 26.228773 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true