4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline

C12H15F4N — CID 63453849

IUPAC4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
SMILESCCC(C)CNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F4N/c1-3-8(2)7-17-9-4-5-11(13)10(6-9)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3
InChIKeyVOXBOPPYGUJOMR-UHFFFAOYSA-N
MW249.25 g/mol
LogP4.30
Rot. Bonds4

About 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline

4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline (PubChem CID 63453849) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
PubChem CID63453849
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
SMILESCCC(C)CNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F4N/c1-3-8(2)7-17-9-4-5-11(13)10(6-9)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3
InChIKeyVOXBOPPYGUJOMR-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)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

3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylpropanenitrile
CID 61228431
2-[4-fluoro-3-(trifluoromethyl)anilino]acetonitrile
CID 61229789
4-fluoro-N-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)aniline
CID 102975771
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
4-fluoro-N-(2-methylbutyl)-3-nitroaniline
CID 43719224
methyl 2-fluoro-5-(2-methylbutylamino)benzoate
CID 43715350
N-(3-ethylsulfonylpropyl)-4-fluoro-3-(trifluoromethyl)aniline
CID 65093044
1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 61230337
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
CID 79022999
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline (CID 63453849) is 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline is CCC(C)CNc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline?
The InChIKey is VOXBOPPYGUJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-3-8(2)7-17-9-4-5-11(13)10(6-9)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline?
4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline has a molecular weight of 249.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63453849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).