Basic information
- CAS
7795-51-9- Standard SMILES
C[C@H](N)Cc1c[nH]c2ccccc12- InChIKey
QSQQQURBVYWZKJ-QMMMGPOBSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
Names & identifiers
- Preferred name
- Indopan, (+)-
- IUPAC
- (2S)-1-(1H-indol-3-yl)propan-2-amine
- English name
- (S)-2-(1H-indol-3-yl)-1-Methyl-ethylaMine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
Indopan, (S)-Indopan, (+)-7795-51-91H-Indole-3-ethanamine, alpha-methyl-, (alphaS)-5J1FVI77RMS-(+)-alpha-Methyltryptamine(2S)-3-(2-Aminopropyl)-1H-indoleRefChem:923425alpha-Methyltryptamine (S)-UNII-5J1FVI77RM(S)-alpha-Methyltryptaminealpha-Methyltryptamine (S)-form [MI]
Show more names
(R)-1-(1H-indol-3-yl)propan-2-amine(S)-α-Methyltryptamine(+)-ALPHA-METHYLTRYPTAMINE(aS)-a-methyl-1H-Indole-3-ethanamine1H-Indole-3-ethanamine, α-methyl-, (αS)-(S)-2-(1H-indol-3-yl)-1-Methyl-ethylaMine
CHEMBL2093087(2S)-1-(1H-indol-3-yl)propan-2-amine(+)-indopanSCHEMBL5000253SCHEMBL5739268SCHEMBL29886359TQP0678QSQQQURBVYWZKJ-QMMMGPOBSA-N
Database identifiers
- CAS
7795-51-9- PubChem CID
- 854157
- ChEMBL
CHEMBL2093087- UNII
- 5J1FVI77RM
- Nikkaji
- J1.029.771K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 125 · 125-126°
- alpha
- 25 · D25 +34.9° (c = 0.9 in methanol)
- Boiling point
- 344.5 · 344.5±17.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 17.22 · 17.22±0.30(Predicted)
- FDA UNII
- 5 J1FVI77RM · 5J1FVI77RM
Related reactions
4 records
Compound notes
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