1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol

C14H11BrCl3NO — CID 63487848

IUPAC1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
SMILESOC(CNc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H11BrCl3NO/c15-9-3-1-2-8(4-9)13(20)7-19-14-11(17)5-10(16)6-12(14)18/h1-6,13,19-20H,7H2
InChIKeyIIWHDOCPMUCACV-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.55
Rot. Bonds4

About 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol

1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol (PubChem CID 63487848) has the molecular formula C14H11BrCl3NO and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
PubChem CID63487848
Molecular FormulaC14H11BrCl3NO
Molecular Weight395.51 g/mol
Exact Mass392.91
IUPAC Name1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
SMILESOC(CNc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H11BrCl3NO/c15-9-3-1-2-8(4-9)13(20)7-19-14-11(17)5-10(16)6-12(14)18/h1-6,13,19-20H,7H2
InChIKeyIIWHDOCPMUCACV-UHFFFAOYSA-N
XLogP5.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-3-chlorobenzonitrile
CID 107807867
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 113362913
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol (CID 63487848) is 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol is OC(CNc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol?
The InChIKey is IIWHDOCPMUCACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3NO/c15-9-3-1-2-8(4-9)13(20)7-19-14-11(17)5-10(16)6-12(14)18/h1-6,13,19-20H,7H2.
What are the key properties of 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol?
1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol has a molecular weight of 395.51 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol is sourced from PubChem (CID 63487848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).