2-ethyl-4-(3-fluoro-2-methylphenyl)aniline

C15H16FN — CID 113324468

IUPAC2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
SMILESCCc1cc(-c2cccc(F)c2C)ccc1N
InChIInChI=1S/C15H16FN/c1-3-11-9-12(7-8-15(11)17)13-5-4-6-14(16)10(13)2/h4-9H,3,17H2,1-2H3
InChIKeyMHLXCTLIJGWUSK-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.95
Rot. Bonds2

About 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline

2-ethyl-4-(3-fluoro-2-methylphenyl)aniline (PubChem CID 113324468) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
PubChem CID113324468
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
SMILESCCc1cc(-c2cccc(F)c2C)ccc1N
InChIInChI=1S/C15H16FN/c1-3-11-9-12(7-8-15(11)17)13-5-4-6-14(16)10(13)2/h4-9H,3,17H2,1-2H3
InChIKeyMHLXCTLIJGWUSK-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline 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-ethyl-4-(2,4,5-trifluorophenyl)aniline
CID 115503112
4-(4-chloro-2-fluorophenyl)-2-ethylaniline
CID 81288774
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
4-(3,5-difluorophenyl)-2-ethylaniline
CID 81287141
[5-(3-fluoro-2-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649966
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
5-(3-fluoro-2-methylphenyl)-2-methylphenol
CID 53218846
1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
CID 115502807

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline?
The IUPAC name of 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline (CID 113324468) is 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline.
What is the SMILES notation for 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline?
The canonical SMILES for 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline is CCc1cc(-c2cccc(F)c2C)ccc1N.
What is the InChIKey of 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline?
The InChIKey is MHLXCTLIJGWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-3-11-9-12(7-8-15(11)17)13-5-4-6-14(16)10(13)2/h4-9H,3,17H2,1-2H3.
What are the key properties of 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline?
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-fluoro-2-methylphenyl)aniline is sourced from PubChem (CID 113324468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).