2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline

C13H13Cl2F3N2 — CID 114490099

IUPAC2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
SMILESNc1c(Cl)cc(CN2CC=C(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C13H13Cl2F3N2/c14-10-5-8(6-11(15)12(10)19)7-20-3-1-9(2-4-20)13(16,17)18/h1,5-6H,2-4,7,19H2
InChIKeyGUDNZZDEIKEUOD-UHFFFAOYSA-N
MW325.16 g/mol
LogP4.27
Rot. Bonds2

About 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline

2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline (PubChem CID 114490099) has the molecular formula C13H13Cl2F3N2 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
PubChem CID114490099
Molecular FormulaC13H13Cl2F3N2
Molecular Weight325.16 g/mol
Exact Mass324.04
IUPAC Name2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
SMILESNc1c(Cl)cc(CN2CC=C(C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C13H13Cl2F3N2/c14-10-5-8(6-11(15)12(10)19)7-20-3-1-9(2-4-20)13(16,17)18/h1,5-6H,2-4,7,19H2
InChIKeyGUDNZZDEIKEUOD-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
1-(2-Chloro-4-(trifluoromethyl)phenyl)piperazine hydrochloride
CID 119031194
4-{[2,6-Dichloro-4-(trifluoromethyl)phenyl]diazenyl}-N,N-diethylaniline
CID 2825078
(2,6-Dichloro-4-trifluoromethyl-phenylazo)-acetonitrile
CID 126508059
2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline
CID 11042959
Benzenamine, 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)-
CID 11821253
3-[N-amino-2,6-dichloro-4-(trifluoromethyl)anilino]propanenitrile
CID 18755660
2,6-Dichloro-4-(trifluoromethyl)benzenediazonium
CID 19785864
2-Chloro-6-[[cyclohexyl(methyl)amino]methyl]-4-fluoroaniline
CID 20319222
2-chloro-6-fluoro-4-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 20433755
N-methyl-N-[2-(4-amino-3-chloro-5-fluoro-phenyl)-ethyl]-amine
CID 20433831

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline (CID 114490099) is 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline is Nc1c(Cl)cc(CN2CC=C(C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
The InChIKey is GUDNZZDEIKEUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F3N2/c14-10-5-8(6-11(15)12(10)19)7-20-3-1-9(2-4-20)13(16,17)18/h1,5-6H,2-4,7,19H2.
What are the key properties of 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline has a molecular weight of 325.16 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline is sourced from PubChem (CID 114490099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).