1-(4-Chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol

HCID 40665

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Basic information

CAS: 53207-40-2
Standard SMILES: CN(C)CC(C)(C)C(O)c1ccc(Cl)cc1
InChIKey: RLJUAVMAXZAJMY-UHFFFAOYSA-N
Molecular formula: C13H20ClNO
Average molar mass: 241.76 g/mol
Monoisotopic mass: 241.123342

Names & identifiers

Preferred name: 1-(4-Chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol
IUPAC: 1-(4-chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol
English name: 4-Chloro-α-[1,1-dimethyl-2-(dimethylamino)ethyl]benzyl alcohol
Molecular formula: C13H20ClNO
Molecular weight: 241.76

Names & synonyms

53207-40-21-(4-chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-olDTXSID40967729RefChem:1054333DTXCID901395324BRN 27243581-Propylamine, 3-hydroxy-3-(p-chlorophenyl)-N,N,2,2-tetramethyl-4-Chloro-alpha-((1,1-dimethyl-2-(dimethylamino))ethyl)benyl alcoholBENZYL ALCOHOL, 4-CHLORO-alpha-((1,1-DIMETHYL-2-(DIMETHYLAMINO))ETHYL)-DB-3059174-Chloro-alpha-[1,1-dimethyl-2-(dimethylamino)ethyl ]benzyl alcohol4-Chloro-α-[1,1-dimethyl-2-(dimethylamino)ethyl]benzyl alcohol

Show more names

Benzenemethanol, 4-chloro-α-[2-(dimethylamino)-1,1-dimethylethyl]-

Database identifiers

CAS: 53207-40-2
PubChem CID: 40665
DTXSID: DTXSID40967729
Nikkaji: J69.025B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 210

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