5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol

C15H16FNO2 — CID 107705061

IUPAC5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
SMILESCc1ccc(F)cc1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16FNO2/c1-9-3-4-12(16)7-15(9)17-10(2)11-5-13(18)8-14(19)6-11/h3-8,10,17-19H,1-2H3
InChIKeyALPKLLUWGBWTGF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.72
Rot. Bonds3

About 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol

5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol (PubChem CID 107705061) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
PubChem CID107705061
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
SMILESCc1ccc(F)cc1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16FNO2/c1-9-3-4-12(16)7-15(9)17-10(2)11-5-13(18)8-14(19)6-11/h3-8,10,17-19H,1-2H3
InChIKeyALPKLLUWGBWTGF-UHFFFAOYSA-N
XLogP3.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 43195454
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol (CID 107705061) is 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol is Cc1ccc(F)cc1NC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol?
The InChIKey is ALPKLLUWGBWTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-3-4-12(16)7-15(9)17-10(2)11-5-13(18)8-14(19)6-11/h3-8,10,17-19H,1-2H3.
What are the key properties of 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol?
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol has a molecular weight of 261.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).