3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline

C14H10Cl4FN — CID 43545046

IUPAC3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl4FN/c1-7(13-11(17)2-3-12(19)14(13)18)20-10-5-8(15)4-9(16)6-10/h2-7,20H,1H3
InChIKeyTZLHNGRSCIHIQZ-UHFFFAOYSA-N
MW353.05 g/mol
LogP6.61
Rot. Bonds3

About 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline

3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline (PubChem CID 43545046) has the molecular formula C14H10Cl4FN and a molecular weight of 353.05 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
PubChem CID43545046
Molecular FormulaC14H10Cl4FN
Molecular Weight353.05 g/mol
Exact Mass350.96
IUPAC Name3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl4FN/c1-7(13-11(17)2-3-12(19)14(13)18)20-10-5-8(15)4-9(16)6-10/h2-7,20H,1H3
InChIKeyTZLHNGRSCIHIQZ-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.05
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
CID 107679459
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476345
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586
2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]benzoic acid
CID 43545183
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,5-dimethylaniline
CID 43545101
3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
3-chloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]benzonitrile
CID 107807600
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43545055
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 112731160

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline (CID 43545046) is 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline is CC(Nc1cc(Cl)cc(Cl)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline?
The InChIKey is TZLHNGRSCIHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4FN/c1-7(13-11(17)2-3-12(19)14(13)18)20-10-5-8(15)4-9(16)6-10/h2-7,20H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline?
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline has a molecular weight of 353.05 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43545046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).