Basic information
- CAS
306316-39-2- Standard SMILES
COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1- InChIKey
QRHWBNDQGIHIGO-UHFFFAOYSA-N- Molecular formula
- C19H23N5O
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.19026037
Names & identifiers
- Preferred name
- N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline
- IUPAC
- N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline
Names & synonyms
MLS000767171N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyanilineSMR000429496{1-[1-(2,6-Dimethyl-phenyl)-1H-tetrazol-5-yl]-1-methyl-ethyl}-(3-methoxy-phenyl)-amineN-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]propan-2-yl}-3-methoxyanilineN-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)propan-2-yl)-3-methoxyaniline306316-39-2cid_596368CHEMBL1381766BDBM33006QRHWBNDQGIHIGO-UHFFFAOYSA-NDTXSID601326152
Show more names
STL326202AKOS001996516N-[2-[1-(2,6-dimethylphenyl)-5-tetrazolyl]propan-2-yl]-3-methoxyaniline[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-methyl-ethyl]-(3-methoxyphenyl)amineN-(1-[1-(2,6-Dimethylphenyl)-1H-tetraazol-5-yl]-1-methylethyl)-3-methoxyaniline #N-[2-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]propan-2-yl]-3-methoxy-aniline1H-Tetrazole-5-methanamine, 1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-.alpha.,.alpha.-dimethyl-
Database identifiers
- CAS
306316-39-2- PubChem CID
- 596368
- DTXSID
DTXSID601326152- ChEMBL
CHEMBL1381766
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Solubility12.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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