4-Bromo-2-[4-(2-methyl-pyrrolidin-1-yl)-but-1-ynyl]-phenylamine
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Basic information
- Standard SMILES
CC1CCCN1CCC#Cc1cc(Br)ccc1N- InChIKey
GCNAYCGEPITKKF-UHFFFAOYSA-N- Molecular formula
- C15H19BrN2
- Average molar mass
- 307.23 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-[4-(2-methyl-pyrrolidin-1-yl)-but-1-ynyl]-phenylamine
- IUPAC
- 4-bromo-2-[4-(2-methylpyrrolidin-1-yl)but-1-ynyl]aniline
Names & synonyms
SCHEMBL489021GCNAYCGEPITKKF-UHFFFAOYSA-N4-bromo-2-[4-(2-methyl-pyrrolidin-1-yl )-but-1-ynyl]-phenylamine4-bromo-2-[4-(2-methyl-pyrrolidin-1-yl)-but-1-ynyl]-phenylamine
Database identifiers
- PubChem CID
- 21980093
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
11 records
Compound notes
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