2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline

C13H10Cl2FN — CID 967942

IUPAC2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H10Cl2FN/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7,17H,8H2
InChIKeyLAGGYICXNMXIJF-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.74
Rot. Bonds3

About 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline

2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 967942) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline
PubChem CID967942
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H10Cl2FN/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7,17H,8H2
InChIKeyLAGGYICXNMXIJF-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dichloro-N-[(4-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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline (CID 967942) is 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is LAGGYICXNMXIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7,17H,8H2.
What are the key properties of 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline?
2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 270.13 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 967942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).