2-(4-fluoro-2-methylphenoxy)-3-methylaniline

C14H14FNO — CID 68879061

IUPAC2-(4-fluoro-2-methylphenoxy)-3-methylaniline
SMILESCc1cc(F)ccc1Oc1c(C)cccc1N
InChIInChI=1S/C14H14FNO/c1-9-4-3-5-12(16)14(9)17-13-7-6-11(15)8-10(13)2/h3-8H,16H2,1-2H3
InChIKeyPIWUOXFQHPPXKO-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.82
Rot. Bonds2

About 2-(4-fluoro-2-methylphenoxy)-3-methylaniline

2-(4-fluoro-2-methylphenoxy)-3-methylaniline (PubChem CID 68879061) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-3-methylaniline
PubChem CID68879061
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(4-fluoro-2-methylphenoxy)-3-methylaniline
SMILESCc1cc(F)ccc1Oc1c(C)cccc1N
InChIInChI=1S/C14H14FNO/c1-9-4-3-5-12(16)14(9)17-13-7-6-11(15)8-10(13)2/h3-8H,16H2,1-2H3
InChIKeyPIWUOXFQHPPXKO-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-2-methylphenoxy)-3-methylaniline 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-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
2-(2-methoxyphenoxy)-3-methylaniline
CID 115550846
2-(2-bromophenoxy)-3-methylaniline
CID 115550883
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
3-methyl-2-(2,4,5-trichlorophenoxy)aniline
CID 113333818
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102982925
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-3-methylaniline?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-3-methylaniline (CID 68879061) is 2-(4-fluoro-2-methylphenoxy)-3-methylaniline.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-3-methylaniline?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-3-methylaniline is Cc1cc(F)ccc1Oc1c(C)cccc1N.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-3-methylaniline?
The InChIKey is PIWUOXFQHPPXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-4-3-5-12(16)14(9)17-13-7-6-11(15)8-10(13)2/h3-8H,16H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-3-methylaniline?
2-(4-fluoro-2-methylphenoxy)-3-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-3-methylaniline is sourced from PubChem (CID 68879061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).