2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline

C16H16Cl2FN — CID 83076818

IUPAC2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1c(Cl)cc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2FN/c1-2-6-15(11-7-4-3-5-8-11)20-16-13(17)9-12(19)10-14(16)18/h3-5,7-10,15,20H,2,6H2,1H3
InChIKeyWOALSXASUDIODV-UHFFFAOYSA-N
MW312.22 g/mol
LogP6.09
Rot. Bonds5

About 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline

2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline (PubChem CID 83076818) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
PubChem CID83076818
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1c(Cl)cc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2FN/c1-2-6-15(11-7-4-3-5-8-11)20-16-13(17)9-12(19)10-14(16)18/h3-5,7-10,15,20H,2,6H2,1H3
InChIKeyWOALSXASUDIODV-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
3-(2-bromo-6-chloro-4-fluoroanilino)-3-phenylpropanenitrile
CID 107611520
2,4,6-trichloro-N-(3-methyl-1-phenylbutyl)aniline
CID 63425749
2-chloro-4,6-difluoro-N-(2-methyl-1-phenylpropyl)aniline
CID 83081256
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
CID 83081335

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline (CID 83076818) is 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline is CCCC(Nc1c(Cl)cc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline?
The InChIKey is WOALSXASUDIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-2-6-15(11-7-4-3-5-8-11)20-16-13(17)9-12(19)10-14(16)18/h3-5,7-10,15,20H,2,6H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline?
2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline has a molecular weight of 312.22 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline is sourced from PubChem (CID 83076818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).