Basic information
- CAS
95116-31-7- Standard SMILES
c1ccc(CNCc2ccc[nH]2)cc1- InChIKey
YOGRUDYQEJQNLR-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
- IUPAC
- 1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine
Names & synonyms
95116-31-7N-((1H-Pyrrol-2-yl)methyl)-1-phenylmethanamineN-(benzyl),N-(pyrrol-2-ylmethyl)amine1H-Pyrrole-2-methanamine, N-(phenylmethyl)-pyrrole inhibitor 171-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamineCHEMBL223618L535LP34JYSCHEMBL28677353BDBM15591benzyl(1H-pyrrol-2-ylmethyl)amineAKOS009004155
Show more names
N-(Phenylmethyl)-1H-pyrrole-2-methanamine
Database identifiers
- CAS
95116-31-7- PubChem CID
- 413448
- ChEMBL
CHEMBL223618- UNII
- L535LP34JY
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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