2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol

C15H15BrFNO — CID 79050493

IUPAC2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2ccccc2Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10-6-11(17)8-12(7-10)18-15(9-19)13-4-2-3-5-14(13)16/h2-8,15,18-19H,9H2,1H3
InChIKeyRAEFJKQBBYFYQT-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol

2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol (PubChem CID 79050493) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
PubChem CID79050493
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2ccccc2Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10-6-11(17)8-12(7-10)18-15(9-19)13-4-2-3-5-14(13)16/h2-8,15,18-19H,9H2,1H3
InChIKeyRAEFJKQBBYFYQT-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-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049466
2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050260
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(1-benzothiophen-3-yl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79046382
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The IUPAC name of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol (CID 79050493) is 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol is Cc1cc(F)cc(NC(CO)c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The InChIKey is RAEFJKQBBYFYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-6-11(17)8-12(7-10)18-15(9-19)13-4-2-3-5-14(13)16/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
2-(2-bromophenyl)-2-(3-fluoro-5-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-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol is sourced from PubChem (CID 79050493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).