2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline

C14H22FNO — CID 43729973

IUPAC2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(F)cc1OCC
InChIInChI=1S/C14H22FNO/c1-4-6-11(3)10-16-13-8-7-12(15)9-14(13)17-5-2/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyASPQSPNPEZPACU-UHFFFAOYSA-N
MW239.33 g/mol
LogP4.07
Rot. Bonds7

About 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline

2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline (PubChem CID 43729973) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
PubChem CID43729973
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(F)cc1OCC
InChIInChI=1S/C14H22FNO/c1-4-6-11(3)10-16-13-8-7-12(15)9-14(13)17-5-2/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyASPQSPNPEZPACU-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-4-fluoro-N-(2-methylpentyl)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-ethoxy-4-fluoro-N-propylaniline
CID 43730181
5-fluoro-2-(2-methylpentylamino)benzonitrile
CID 82014031
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
5-chloro-2-fluoro-N-(2-methylpentyl)aniline
CID 43438253

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline (CID 43729973) is 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline is CCCC(C)CNc1ccc(F)cc1OCC.
What is the InChIKey of 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline?
The InChIKey is ASPQSPNPEZPACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-6-11(3)10-16-13-8-7-12(15)9-14(13)17-5-2/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline?
2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline has a molecular weight of 239.33 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43729973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).