3-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]aniline
Basic information
- CAS
5637-58-1- Standard SMILES
Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1cccc(Cl)c1- InChIKey
YIHBOMUMGRCGIH-UHFFFAOYSA-N- Molecular formula
- C18H20ClN5
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.1407234
Names & identifiers
- Preferred name
- 3-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]aniline
- IUPAC
- 3-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]aniline
Names & synonyms
5637-58-13-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]anilineDTXSID504124173-Chloro-N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]propan-2-yl}aniline
Database identifiers
- CAS
5637-58-1- PubChem CID
- 5239255
- DTXSID
DTXSID50412417
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
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Related reactions
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Compound notes
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