[1-(1H-indol-3-yl)propan-2-yl](methyl)amine

• ChemBase ID: 180744
• Molecular Formular: C12H16N2
• Molecular Mass: 188.26884
• Monoisotopic Mass: 188.13134852
• SMILES: c1(c[nH]c2c1cccc2)CC(NC)C
• Canonical SMILES: CNC(Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C12H16N2/c1-9(13-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13-14H,7H2,1-2H3
• InChIKey: HUWIYJREHSBOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-indol-3-yl)propan-2-yl](methyl)amine
• IUPAC Traditional name: N,α-dimethyltryptamine

Database IDs

• PubChem SID: 164236654
• PubChem CID: 3724428

CALCULATED PROPERTIES

• Acid pKa: 17.135384
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.8968362
• LogD (pH = 7.4): -0.46360454
• Log P: 2.335593
• Molar Refractivity: 59.5663 cm^3
• Polarizability: 24.465406 Å^3
• Polar Surface Area: 27.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds