1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol

C16H18F2N2O — CID 115377826

IUPAC1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
SMILESCN(C)c1cccc(NCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H18F2N2O/c1-20(2)13-5-3-4-12(9-13)19-10-16(21)11-6-7-14(17)15(18)8-11/h3-9,16,19,21H,10H2,1-2H3
InChIKeyHMMRHEHMWCXCPZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.18
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol

1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol (PubChem CID 115377826) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
PubChem CID115377826
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
SMILESCN(C)c1cccc(NCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H18F2N2O/c1-20(2)13-5-3-4-12(9-13)19-10-16(21)11-6-7-14(17)15(18)8-11/h3-9,16,19,21H,10H2,1-2H3
InChIKeyHMMRHEHMWCXCPZ-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
CID 114281857
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
CID 60897262
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol (CID 115377826) is 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol is CN(C)c1cccc(NCC(O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol?
The InChIKey is HMMRHEHMWCXCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-20(2)13-5-3-4-12(9-13)19-10-16(21)11-6-7-14(17)15(18)8-11/h3-9,16,19,21H,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol?
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol has a molecular weight of 292.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol is sourced from PubChem (CID 115377826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).