4-chloro-N-(2-ethylhexyl)-2-fluoroaniline

C14H21ClFN — CID 55197144

IUPAC4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
SMILESCCCCC(CC)CNc1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFN/c1-3-5-6-11(4-2)10-17-14-8-7-12(15)9-13(14)16/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyJCIJRNJTNLAKRC-UHFFFAOYSA-N
MW257.78 g/mol
LogP5.11
Rot. Bonds7

About 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline

4-chloro-N-(2-ethylhexyl)-2-fluoroaniline (PubChem CID 55197144) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
PubChem CID55197144
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
SMILESCCCCC(CC)CNc1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFN/c1-3-5-6-11(4-2)10-17-14-8-7-12(15)9-13(14)16/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyJCIJRNJTNLAKRC-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.78
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline 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

4-(2-ethylhexylamino)-3-fluorobenzoic acid
CID 114004413
4-bromo-2-chloro-N-(2-ethylhexyl)aniline
CID 63489227
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107819905
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
5-bromo-N-(2-ethylhexyl)-4-fluoro-2-nitroaniline
CID 107816498
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
methyl 2-(4-chloro-2-fluoroanilino)hexanoate
CID 103247397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline?
The IUPAC name of 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline (CID 55197144) is 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline is CCCCC(CC)CNc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline?
The InChIKey is JCIJRNJTNLAKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-3-5-6-11(4-2)10-17-14-8-7-12(15)9-13(14)16/h7-9,11,17H,3-6,10H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline?
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline has a molecular weight of 257.78 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylhexyl)-2-fluoroaniline is sourced from PubChem (CID 55197144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).