Benzenemethanamine, 2-amino-3-bromo-N-cyclohexyl-5-(1,1-dimethylethyl)-N-methyl-, hydrochloride (1:1)
Basic information
- CAS
57814-21-8- Standard SMILES
CN(Cc1cc(C(C)(C)C)cc(Br)c1N)C1CCCCC1.Cl- InChIKey
GMQWWVVQIBZQFB-UHFFFAOYSA-N- Molecular formula
- C18H30BrClN2
- Average molar mass
- 389.8 g/mol
- Monoisotopic mass
- 388.12809
Names & identifiers
- Preferred name
- Benzenemethanamine, 2-amino-3-bromo-N-cyclohexyl-5-(1,1-dimethylethyl)-N-methyl-, hydrochloride (1:1)
- IUPAC
- 2-bromo-4-tert-butyl-6-[[cyclohexyl(methyl)amino]methyl]aniline;hydrochloride
Names & synonyms
Benzenemethanamine, 2-amino-3-bromo-N-cyclohexyl-5-(1,1-dimethylethyl)-N-methyl-, monohydrochloride57814-21-8DTXSID20206522RefChem:1078490DTXCID50129013Benzenemethanamine, 2-amino-3-bromo-N-cyclohexyl-5-(1,1-dimethylethyl)-N-methyl-, hydrochloride (1:1)2-Amino-3-bromo-5-tert-butyl-N-cyclohexyl-N-methylbenzylamine hydrochlorideSCHEMBL116192022-Bromo-4-tert-butyl-6-{[cyclohexyl(methyl)amino]methyl}aniline--hydrogen chloride (1/1)
Database identifiers
- CAS
57814-21-8- PubChem CID
- 3044883
- DTXSID
DTXSID20206522
Properties
Computed structural properties
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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