2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline

C13H8Cl4FN — CID 114487265

IUPAC2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
SMILESFc1c(Cl)cccc1CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl4FN/c14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-5,19H,6H2
InChIKeyLLXMVUKDPSPCPN-UHFFFAOYSA-N
MW339.02 g/mol
LogP6.05
Rot. Bonds3

About 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline

2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline (PubChem CID 114487265) has the molecular formula C13H8Cl4FN and a molecular weight of 339.02 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
PubChem CID114487265
Molecular FormulaC13H8Cl4FN
Molecular Weight339.02 g/mol
Exact Mass336.94
IUPAC Name2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
SMILESFc1c(Cl)cccc1CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl4FN/c14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-5,19H,6H2
InChIKeyLLXMVUKDPSPCPN-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.02
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]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

2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 28992578
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 114487194
N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 114487520
N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 29034132
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline (CID 114487265) is 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline is Fc1c(Cl)cccc1CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline?
The InChIKey is LLXMVUKDPSPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4FN/c14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-5,19H,6H2.
What are the key properties of 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline?
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline has a molecular weight of 339.02 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 114487265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).