2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol

C14H12BrCl2NO — CID 66156093

IUPAC2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
SMILESOCC(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrCl2NO/c15-13-6-3-10(17)7-12(13)14(8-19)18-11-4-1-9(16)2-5-11/h1-7,14,18-19H,8H2
InChIKeyWPDSAQSSVBSAAQ-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.90
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol

2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol (PubChem CID 66156093) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
PubChem CID66156093
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
SMILESOCC(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrCl2NO/c15-13-6-3-10(17)7-12(13)14(8-19)18-11-4-1-9(16)2-5-11/h1-7,14,18-19H,8H2
InChIKeyWPDSAQSSVBSAAQ-UHFFFAOYSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 66156487
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
2-(2,4-dichlorophenyl)-2-(4-methoxyanilino)ethanol
CID 61044772
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
2-(4-chloroanilino)-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83090064
2-anilino-2-(5-bromo-2-chlorophenyl)ethanol
CID 114077180
2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584301
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol (CID 66156093) is 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol is OCC(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol?
The InChIKey is WPDSAQSSVBSAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-13-6-3-10(17)7-12(13)14(8-19)18-11-4-1-9(16)2-5-11/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol?
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol has a molecular weight of 361.07 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol is sourced from PubChem (CID 66156093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).