2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline

C15H16FNO3 — CID 83008312

IUPAC2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Oc2ccc(F)cc2C)cc1OC
InChIInChI=1S/C15H16FNO3/c1-9-6-10(16)4-5-12(9)20-13-8-15(19-3)14(18-2)7-11(13)17/h4-8H,17H2,1-3H3
InChIKeyWWOGARLVGSFJRY-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline

2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline (PubChem CID 83008312) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
PubChem CID83008312
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Oc2ccc(F)cc2C)cc1OC
InChIInChI=1S/C15H16FNO3/c1-9-6-10(16)4-5-12(9)20-13-8-15(19-3)14(18-2)7-11(13)17/h4-8H,17H2,1-3H3
InChIKeyWWOGARLVGSFJRY-UHFFFAOYSA-N
XLogP3.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline 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

ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
CID 83008306
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
CID 103079208
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline (CID 83008312) is 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline is COc1cc(N)c(Oc2ccc(F)cc2C)cc1OC.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline?
The InChIKey is WWOGARLVGSFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-9-6-10(16)4-5-12(9)20-13-8-15(19-3)14(18-2)7-11(13)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline?
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline has a molecular weight of 277.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline is sourced from PubChem (CID 83008312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).