2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol

C15H15F2NO2 — CID 60900221

IUPAC2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2NO2/c1-20-11-7-5-10(6-8-11)14(19)9-18-15-12(16)3-2-4-13(15)17/h2-8,14,18-19H,9H2,1H3
InChIKeyRBCLICXJHGRPRQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.12
Rot. Bonds5

About 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol

2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 60900221) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID60900221
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2NO2/c1-20-11-7-5-10(6-8-11)14(19)9-18-15-12(16)3-2-4-13(15)17/h2-8,14,18-19H,9H2,1H3
InChIKeyRBCLICXJHGRPRQ-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944
3-fluoro-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]benzonitrile
CID 78916072
2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 107365116
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol (CID 60900221) is 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2c(F)cccc2F)cc1.
What is the InChIKey of 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is RBCLICXJHGRPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-20-11-7-5-10(6-8-11)14(19)9-18-15-12(16)3-2-4-13(15)17/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol?
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 279.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60900221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).