N,2-diethyl-4-fluoroaniline

C10H14FN — CID 23348964

IUPACN,2-diethyl-4-fluoroaniline
SMILESCCNc1ccc(F)cc1CC
InChIInChI=1S/C10H14FN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyXPSNULNTMAPSNP-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.82
Rot. Bonds3

About N,2-diethyl-4-fluoroaniline

N,2-diethyl-4-fluoroaniline (PubChem CID 23348964) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N,2-diethyl-4-fluoroaniline.

Molecular Properties

Compound NameN,2-diethyl-4-fluoroaniline
PubChem CID23348964
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN,2-diethyl-4-fluoroaniline
SMILESCCNc1ccc(F)cc1CC
InChIInChI=1S/C10H14FN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyXPSNULNTMAPSNP-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2-diethyl-4-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

(2-ethyl-4-fluorophenyl)hydrazine
CID 131054552
N,2-diethyl-4-methylaniline
CID 23348946
2-ethyl-1,4-difluorobenzene
CID 23202513
bromo N-(2-ethyl-4-fluorophenyl)carbamate
CID 175405896
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
2-ethyl-4-fluorobenzenethiol
CID 91874071
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
(2-ethyl-5-fluorophenyl)hydrazine
CID 130780548
N,4-diethyl-5-fluoro-2-methylaniline
CID 144881437
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578
2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
2-(2-aminoethyl)-N-butyl-4-fluoroaniline
CID 95441121

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-fluoroaniline?
The IUPAC name of N,2-diethyl-4-fluoroaniline (CID 23348964) is N,2-diethyl-4-fluoroaniline.
What is the SMILES notation for N,2-diethyl-4-fluoroaniline?
The canonical SMILES for N,2-diethyl-4-fluoroaniline is CCNc1ccc(F)cc1CC.
What is the InChIKey of N,2-diethyl-4-fluoroaniline?
The InChIKey is XPSNULNTMAPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N,2-diethyl-4-fluoroaniline?
N,2-diethyl-4-fluoroaniline has a molecular weight of 167.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4-fluoroaniline is sourced from PubChem (CID 23348964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).