2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol

C15H14BrClFNO2 — CID 107611576

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C15H14BrClFNO2/c1-21-11-4-2-3-9(5-11)14(20)8-19-15-12(16)6-10(18)7-13(15)17/h2-7,14,19-20H,8H2,1H3
InChIKeyBGXVPERTCMXAJW-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol

2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol (PubChem CID 107611576) has the molecular formula C15H14BrClFNO2 and a molecular weight of 374.64 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
PubChem CID107611576
Molecular FormulaC15H14BrClFNO2
Molecular Weight374.64 g/mol
Exact Mass372.99
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C15H14BrClFNO2/c1-21-11-4-2-3-9(5-11)14(20)8-19-15-12(16)6-10(18)7-13(15)17/h2-7,14,19-20H,8H2,1H3
InChIKeyBGXVPERTCMXAJW-UHFFFAOYSA-N
XLogP4.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol (CID 107611576) is 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNc2c(Cl)cc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is BGXVPERTCMXAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO2/c1-21-11-4-2-3-9(5-11)14(20)8-19-15-12(16)6-10(18)7-13(15)17/h2-7,14,19-20H,8H2,1H3.
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol?
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 374.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 107611576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).