2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol

C15H14BrCl2NO — CID 107634052

IUPAC2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
SMILESCc1c(Br)cccc1NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9-12(16)3-2-4-14(9)19-8-15(20)11-7-10(17)5-6-13(11)18/h2-7,15,19-20H,8H2,1H3
InChIKeyMNNOALNGUJJINV-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.21
Rot. Bonds4

About 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol

2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol (PubChem CID 107634052) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
PubChem CID107634052
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
SMILESCc1c(Br)cccc1NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9-12(16)3-2-4-14(9)19-8-15(20)11-7-10(17)5-6-13(11)18/h2-7,15,19-20H,8H2,1H3
InChIKeyMNNOALNGUJJINV-UHFFFAOYSA-N
XLogP5.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107592129
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
CID 63489373
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol (CID 107634052) is 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol is Cc1c(Br)cccc1NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is MNNOALNGUJJINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9-12(16)3-2-4-14(9)19-8-15(20)11-7-10(17)5-6-13(11)18/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol?
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 375.09 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 107634052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).