Completing data — usually done within a minute
Basic information
- CAS
14487-95-7- Standard SMILES
CC(C)(CN)c1c[nH]c2ccc(Cl)cc12- InChIKey
QDTMEDNJIZALMQ-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2
- Average molar mass
- 222.71 g/mol
- Monoisotopic mass
- 222.09237616
Names & identifiers
- Preferred name
- Indole, 5-chloro-3-(2-amino-1,1-dimethylethyl)-
- IUPAC
- 2-(5-chloro-1H-indol-3-yl)-2-methylpropan-1-amine
Names & synonyms
14487-95-7INDOLE, 5-CHLORO-3-(2-AMINO-1,1-DIMETHYLETHYL)-BRN 03971265-Chloro-beta,beta-dimethyltryptamine2-(5-chloro-1H-indol-3-yl)-2-methylpropan-1-amineSCHEMBL9268928DTXSID90162828QDTMEDNJIZALMQ-UHFFFAOYSA-N[1-(5-chloro-1H-indol-3-yl)-1,1-dimethylethyl]amine
Database identifiers
- CAS
14487-95-7- PubChem CID
- 26712
- DTXSID
DTXSID90162828
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
1 records
Compound notes
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