2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline

C15H20Cl2FN — CID 83077049

IUPAC2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCC1CC(Nc2c(Cl)cc(F)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C15H20Cl2FN/c1-9-4-11(8-15(2,3)7-9)19-14-12(16)5-10(18)6-13(14)17/h5-6,9,11,19H,4,7-8H2,1-3H3
InChIKeyWENIZHJVIGUWBY-UHFFFAOYSA-N
MW304.24 g/mol
LogP5.76
Rot. Bonds2

About 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline

2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 83077049) has the molecular formula C15H20Cl2FN and a molecular weight of 304.24 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID83077049
Molecular FormulaC15H20Cl2FN
Molecular Weight304.24 g/mol
Exact Mass303.10
IUPAC Name2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCC1CC(Nc2c(Cl)cc(F)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C15H20Cl2FN/c1-9-4-11(8-15(2,3)7-9)19-14-12(16)5-10(18)6-13(14)17/h5-6,9,11,19H,4,7-8H2,1-3H3
InChIKeyWENIZHJVIGUWBY-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.24
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43721505
2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43123923
2,3,5-trifluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63478916
2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
CID 103562281
2-bromo-6-chloro-4-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 107610310
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63418656
2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63425329
2-bromo-6-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 107598169
2,6-dichloro-4-fluoro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 83076812
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
CID 113228053
4-chloro-2-[(3,3,5-trimethylcyclohexyl)amino]benzonitrile
CID 43681600

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline (CID 83077049) is 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline is CC1CC(Nc2c(Cl)cc(F)cc2Cl)CC(C)(C)C1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is WENIZHJVIGUWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2FN/c1-9-4-11(8-15(2,3)7-9)19-14-12(16)5-10(18)6-13(14)17/h5-6,9,11,19H,4,7-8H2,1-3H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 304.24 g/mol, XLogP of 5.76, 2 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-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 83077049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).