2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol

C15H15BrFNO — CID 81440633

IUPAC2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NC(CO)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H15BrFNO/c1-10-2-5-12(6-3-10)18-15(9-19)11-4-7-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyLBVIXEPCTJSWPK-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol

2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol (PubChem CID 81440633) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
PubChem CID81440633
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NC(CO)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H15BrFNO/c1-10-2-5-12(6-3-10)18-15(9-19)11-4-7-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3
InChIKeyLBVIXEPCTJSWPK-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
CID 62122602
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
CID 63437045
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol (CID 81440633) is 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol is Cc1ccc(NC(CO)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol?
The InChIKey is LBVIXEPCTJSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-2-5-12(6-3-10)18-15(9-19)11-4-7-13(16)14(17)8-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol?
2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol has a molecular weight of 324.19 g/mol, XLogP of 4.04, 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-fluorophenyl)-2-(4-methylanilino)ethanol is sourced from PubChem (CID 81440633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).