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

C9H9Cl2F3N2 — CID 82833180

IUPAC2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline
SMILESNc1c(Cl)cc(CNCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H9Cl2F3N2/c10-6-1-5(2-7(11)8(6)15)3-16-4-9(12,13)14/h1-2,16H,3-4,15H2
InChIKeyUOFWAKSREGOKDW-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.23
Rot. Bonds3

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

2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline (PubChem CID 82833180) has the molecular formula C9H9Cl2F3N2 and a molecular weight of 273.09 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline
PubChem CID82833180
Molecular FormulaC9H9Cl2F3N2
Molecular Weight273.09 g/mol
Exact Mass272.01
IUPAC Name2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline
SMILESNc1c(Cl)cc(CNCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H9Cl2F3N2/c10-6-1-5(2-7(11)8(6)15)3-16-4-9(12,13)14/h1-2,16H,3-4,15H2
InChIKeyUOFWAKSREGOKDW-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)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

2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline
CID 82841143
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
4-[[(5-bromothiophen-2-yl)methylamino]methyl]-2,6-dichloroaniline
CID 82840620
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111
2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82833187
3-chloro-5-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293658
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
2-chloro-4-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 115520154
2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82832762
S-[3-[(2,2,2-trifluoroethylamino)methyl]phenyl]thiohydroxylamine
CID 139572542

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline (CID 82833180) is 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline is Nc1c(Cl)cc(CNCC(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline?
The InChIKey is UOFWAKSREGOKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2/c10-6-1-5(2-7(11)8(6)15)3-16-4-9(12,13)14/h1-2,16H,3-4,15H2.
What are the key properties of 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline?
2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline has a molecular weight of 273.09 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2,2,2-trifluoroethylamino)methyl]aniline is sourced from PubChem (CID 82833180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).