2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol

C15H16FNO2 — CID 107711798

IUPAC2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol
SMILESCC(c1c(O)cccc1O)N(C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c1-10(15-13(18)4-3-5-14(15)19)17(2)12-8-6-11(16)7-9-12/h3-10,18-19H,1-2H3
InChIKeyXUXIQYIVUYDOFX-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.43
Rot. Bonds3

About 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol

2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol (PubChem CID 107711798) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol
PubChem CID107711798
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol
SMILESCC(c1c(O)cccc1O)N(C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c1-10(15-13(18)4-3-5-14(15)19)17(2)12-8-6-11(16)7-9-12/h3-10,18-19H,1-2H3
InChIKeyXUXIQYIVUYDOFX-UHFFFAOYSA-N
XLogP3.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107711796
2-[1-(3-fluoro-N-methylanilino)ethyl]phenol
CID 82978399
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
3-fluoro-2-propan-2-ylphenol
CID 169008689
2-[1-(2-chloro-5-fluoroanilino)ethyl]benzene-1,3-diol
CID 107711364
2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]acetic acid
CID 107711518
2-[1-[butyl(methyl)amino]ethyl]benzene-1,3-diol
CID 107711667
2-[1-[ethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 107711720
3-[1-(N,4-dimethylanilino)ethyl]phenol
CID 82978141
2-[1-[methyl-[2-(methylamino)ethyl]amino]ethyl]benzene-1,3-diol
CID 107711428
2-[1-(2,6-dihydroxyphenyl)ethyl-methylamino]-N,N-dimethylacetamide
CID 107711729
2-[1-[2-methylpropyl(pentan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712006

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol (CID 107711798) is 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol is CC(c1c(O)cccc1O)N(C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol?
The InChIKey is XUXIQYIVUYDOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(15-13(18)4-3-5-14(15)19)17(2)12-8-6-11(16)7-9-12/h3-10,18-19H,1-2H3.
What are the key properties of 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol?
2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol has a molecular weight of 261.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-N-methylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).