1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)
Basic information
- CAS
26399-95-1- Standard SMILES
Cc1cccc(Cl)c1NC(=O)OC1CC2CCC(C1)N2C- InChIKey
GAUUSFHQQUOANG-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O2
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.1291556
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Names & synonyms
BRN 1546638Carbamic acid, (2-chloro-6-methylphenyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, exo-26399-95-15-21-01-00232 (Beilstein Handbook Reference)1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 2-chloro-6-methylcarbanilate (ester)RefChem:227433DTXSID809492868-Methyl-8-azabicyclo[3.2.1]octan-3-yl hydrogen (2-chloro-6-methylphenyl)carbonimidate
Database identifiers
- CAS
26399-95-1- PubChem CID
- 213484
- DTXSID
DTXSID80949286
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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