2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol

C15H14BrClFNO — CID 104723407

IUPAC2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1cc(Br)c(NCC(O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H14BrClFNO/c1-9-6-12(16)14(7-13(9)17)19-8-15(20)10-2-4-11(18)5-3-10/h2-7,15,19-20H,8H2,1H3
InChIKeyNFHYZEOXPPTPAL-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.70
Rot. Bonds4

About 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol

2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 104723407) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
PubChem CID104723407
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1cc(Br)c(NCC(O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H14BrClFNO/c1-9-6-12(16)14(7-13(9)17)19-8-15(20)10-2-4-11(18)5-3-10/h2-7,15,19-20H,8H2,1H3
InChIKeyNFHYZEOXPPTPAL-UHFFFAOYSA-N
XLogP4.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104726864
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60900638
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
1-(2-bromo-5-chloro-4-methylanilino)-3-ethoxypropan-2-ol
CID 113445450

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol (CID 104723407) is 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol is Cc1cc(Br)c(NCC(O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is NFHYZEOXPPTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9-6-12(16)14(7-13(9)17)19-8-15(20)10-2-4-11(18)5-3-10/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol?
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 358.64 g/mol, XLogP of 4.70, 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-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 104723407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).