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Basic information
- Standard SMILES
CCCN(CC(O)c1ccc(-n2c(C)ccc2C)nc1)[C@@H](C)CO- InChIKey
IKCWRLPHRWTNKX-ATNAJCNCSA-N- Molecular formula
- C19H29N3O2
- Average molar mass
- 331.5 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[{(RS)-2-[6-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-3-yl]-2-hydroxyethyl}propylamino]propan-1-ol
- IUPAC
- (2S)-2-[[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-propylamino]propan-1-ol
Names & synonyms
SCHEMBL1842364IKCWRLPHRWTNKX-ATNAJCNCSA-N(2S)-2-[{(RS)-2-[6-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-3-yl]-2-hydroxyethyl}propylamino]propan-1-ol
Database identifiers
- PubChem CID
- 59645265
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
Related reactions
2 records
Compound notes
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