2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline

C15H20Cl2FN — CID 83078747

IUPAC2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCCC1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H20Cl2FN/c1-9(2)11-5-3-4-6-14(11)19-15-12(16)7-10(18)8-13(15)17/h7-9,11,14,19H,3-6H2,1-2H3
InChIKeyIARNUQINVQDCAQ-UHFFFAOYSA-N
MW304.24 g/mol
LogP5.76
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline

2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline (PubChem CID 83078747) has the molecular formula C15H20Cl2FN and a molecular weight of 304.24 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
PubChem CID83078747
Molecular FormulaC15H20Cl2FN
Molecular Weight304.24 g/mol
Exact Mass303.10
IUPAC Name2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCCC1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H20Cl2FN/c1-9(2)11-5-3-4-6-14(11)19-15-12(16)7-10(18)8-13(15)17/h7-9,11,14,19H,3-6H2,1-2H3
InChIKeyIARNUQINVQDCAQ-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2,6-dichloro-N-(2-propan-2-ylphenyl)aniline
CID 10934820
2-chloro-N-(1-phenylethyl)aniline
CID 14976481
(3-Chloro-5,3',5'-trifluorobiphenyl-4-yl)ethylamine
CID 6426036
(3,5'-Dichloro-5,3'-difluorobiphenyl-4-yl)ethylamine
CID 6426137
3,5-Dichloro-2',6'-difluorobiphenyl-4-yl)methylamine
CID 6426146
Methyl(3,2',6'-trichloro-5-fluorobiphenyl-4-yl)amine
CID 6426245
3-chloro-4-fluoro-N-(2-methyl-1-phenylpropyl)aniline
CID 12129985
2,6-dichloro-N-[(4-fluorophenyl)methyl]aniline
CID 967942
N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 11680788
3-chloro-N-(cyclohexylmethyl)-4-fluoroaniline
CID 18778546
2-chloro-N-ethyl-4-fluoro-6-methylaniline
CID 23348772
2-Chloro-N-(4-fluorobenzyl)aniline
CID 23907159

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline (CID 83078747) is 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCCC1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline?
The InChIKey is IARNUQINVQDCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2FN/c1-9(2)11-5-3-4-6-14(11)19-15-12(16)7-10(18)8-13(15)17/h7-9,11,14,19H,3-6H2,1-2H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline?
2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline has a molecular weight of 304.24 g/mol, XLogP of 5.76, 3 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-(2-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 83078747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).