2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol

C15H15BrClNO — CID 60724940

IUPAC2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
SMILESCc1cc(NCC(O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H15BrClNO/c1-10-8-13(6-7-14(10)16)18-9-15(19)11-2-4-12(17)5-3-11/h2-8,15,18-19H,9H2,1H3
InChIKeyUMOFMCZZPUGOQD-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol

2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol (PubChem CID 60724940) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
PubChem CID60724940
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
SMILESCc1cc(NCC(O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H15BrClNO/c1-10-8-13(6-7-14(10)16)18-9-15(19)11-2-4-12(17)5-3-11/h2-8,15,18-19H,9H2,1H3
InChIKeyUMOFMCZZPUGOQD-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63492470
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
CID 133108525
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol (CID 60724940) is 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol is Cc1cc(NCC(O)c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol?
The InChIKey is UMOFMCZZPUGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-8-13(6-7-14(10)16)18-9-15(19)11-2-4-12(17)5-3-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol?
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol has a molecular weight of 340.65 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 60724940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).