Basic information
- CAS
20913-94-4- Standard SMILES
COc1ccc2[nH]cc(CC(N)CO)c2c1- InChIKey
ZTSHEMWPFPNRGQ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- 1H-Indole-3-propanol, beta-amino-5-methoxy-
- IUPAC
- 2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol
Names & synonyms
20913-94-41H-INDOLE-3-PROPANOL, beta-AMINO-5-METHOXY-RefChem:1058221beta-Amino-5-methoxy-1H-indole-3-propanolBRN 01921632-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-olSCHEMBL4749748DTXSID109431765-22-12-00358 (Beilstein Handbook Reference)
Database identifiers
- CAS
20913-94-4- PubChem CID
- 30359
- DTXSID
DTXSID10943176
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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