2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol

C16H17F2NO — CID 79049542

IUPAC2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)cc(NC(CO)c2ccc(F)cc2C)c1
InChIInChI=1S/C16H17F2NO/c1-10-5-13(18)8-14(6-10)19-16(9-20)15-4-3-12(17)7-11(15)2/h3-8,16,19-20H,9H2,1-2H3
InChIKeyQDABLJJQEXGZQF-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol

2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 79049542) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID79049542
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)cc(NC(CO)c2ccc(F)cc2C)c1
InChIInChI=1S/C16H17F2NO/c1-10-5-13(18)8-14(6-10)19-16(9-20)15-4-3-12(17)7-11(15)2/h3-8,16,19-20H,9H2,1-2H3
InChIKeyQDABLJJQEXGZQF-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.73
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-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050493
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676
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-3-methylphenyl)ethanol
CID 79050588
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(1-benzothiophen-3-yl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79046382
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055219
3-ethyl-2-(3-fluoro-5-methylanilino)pentan-1-ol
CID 79048010

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol (CID 79049542) is 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)cc(NC(CO)c2ccc(F)cc2C)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is QDABLJJQEXGZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-5-13(18)8-14(6-10)19-16(9-20)15-4-3-12(17)7-11(15)2/h3-8,16,19-20H,9H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 277.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 79049542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).