N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline

C19H29F4N — CID 22638279

IUPACN-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
SMILESCCCC(CC)CCC(C)CN(CC)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C19H29F4N/c1-5-8-14(6-2)10-9-13(4)12-24(7-3)16-11-15(20)17(21)19(23)18(16)22/h11,13-14H,5-10,12H2,1-4H3
InChIKeyPEFUFDUQERERTN-UHFFFAOYSA-N
MW347.44 g/mol
LogP6.31
Rot. Bonds10

About N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline

N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline (PubChem CID 22638279) has the molecular formula C19H29F4N and a molecular weight of 347.44 g/mol. Its IUPAC name is N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
PubChem CID22638279
Molecular FormulaC19H29F4N
Molecular Weight347.44 g/mol
Exact Mass347.22
IUPAC NameN-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
SMILESCCCC(CC)CCC(C)CN(CC)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C19H29F4N/c1-5-8-14(6-2)10-9-13(4)12-24(7-3)16-11-15(20)17(21)19(23)18(16)22/h11,13-14H,5-10,12H2,1-4H3
InChIKeyPEFUFDUQERERTN-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline 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

N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline
CID 22638067
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
2,4,5-trifluoro-N-methyl-N-(2-methylpentyl)-3-(1,1,2,2,2-pentafluoroethyl)aniline
CID 22637791
2,4,5-trifluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)aniline
CID 22638145
6-ethyl-3-methylnonane;methane
CID 142358245
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium
CID 23123032
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
CID 60789812
tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637381
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline?
The IUPAC name of N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline (CID 22638279) is N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline.
What is the SMILES notation for N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline?
The canonical SMILES for N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline is CCCC(CC)CCC(C)CN(CC)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline?
The InChIKey is PEFUFDUQERERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F4N/c1-5-8-14(6-2)10-9-13(4)12-24(7-3)16-11-15(20)17(21)19(23)18(16)22/h11,13-14H,5-10,12H2,1-4H3.
What are the key properties of N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline?
N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline has a molecular weight of 347.44 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline is sourced from PubChem (CID 22638279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).