2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol

C16H17BrClNO — CID 63490045

IUPAC2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
SMILESCc1cc(Br)cc(C)c1NCC(O)c1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-10-7-12(17)8-11(2)16(10)19-9-15(20)13-5-3-4-6-14(13)18/h3-8,15,19-20H,9H2,1-2H3
InChIKeyZWWLSJUKDXTHJG-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.86
Rot. Bonds4

About 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol

2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol (PubChem CID 63490045) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
PubChem CID63490045
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol
SMILESCc1cc(Br)cc(C)c1NCC(O)c1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-10-7-12(17)8-11(2)16(10)19-9-15(20)13-5-3-4-6-14(13)18/h3-8,15,19-20H,9H2,1-2H3
InChIKeyZWWLSJUKDXTHJG-UHFFFAOYSA-N
XLogP4.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(2-chloro-6-methylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66252932
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
CID 60970927
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
CID 60900575
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol (CID 63490045) is 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol is Cc1cc(Br)cc(C)c1NCC(O)c1ccccc1Cl.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol?
The InChIKey is ZWWLSJUKDXTHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-7-12(17)8-11(2)16(10)19-9-15(20)13-5-3-4-6-14(13)18/h3-8,15,19-20H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol?
2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol has a molecular weight of 354.68 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylanilino)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 63490045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).