Basic information
- CAS
67610-54-2- Standard SMILES
CC(C)(C)c1ccc(N(CCN2CCCC2)c2cccc(Cl)c2)cc1.Cl- InChIKey
DKXZUTXPWLBUMB-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 392.1786044
Names & identifiers
- Preferred name
- 1-Pyrrolidineethanamine, N-(3-chlorophenyl)-N-(4-(1,1-dimethylethyl)phenyl)-, monohydrochloride
- IUPAC
- N-(4-tert-butylphenyl)-3-chloro-N-(2-pyrrolidin-1-ylethyl)aniline;hydrochloride
Names & synonyms
1-Pyrrolidineethanamine, N-(3-chlorophenyl)-N-(4-(1,1-dimethylethyl)phenyl)-, monohydrochlorideN-(2-Pyrrolidinoethyl)-4-tert-butyl-3'-chlorodiphenylamine hydrochloride67610-54-2DTXSID20217931RefChem:235236DTXCID70140422N-(4-tert-Butylphenyl)-3-chloro-N-[2-(pyrrolidin-1-yl)ethyl]aniline--hydrogen chloride (1/1)
Database identifiers
- CAS
67610-54-2- PubChem CID
- 3051650
- DTXSID
DTXSID20217931
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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