2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline

C15H20ClF2N — CID 83081176

IUPAC2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCCC1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H20ClF2N/c1-9(2)11-5-3-4-6-14(11)19-15-12(16)7-10(17)8-13(15)18/h7-9,11,14,19H,3-6H2,1-2H3
InChIKeyZRZSZIOYKFKFRB-UHFFFAOYSA-N
MW287.78 g/mol
LogP5.24
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline

2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline (PubChem CID 83081176) has the molecular formula C15H20ClF2N and a molecular weight of 287.78 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
PubChem CID83081176
Molecular FormulaC15H20ClF2N
Molecular Weight287.78 g/mol
Exact Mass287.13
IUPAC Name2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCCC1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H20ClF2N/c1-9(2)11-5-3-4-6-14(11)19-15-12(16)7-10(17)8-13(15)18/h7-9,11,14,19H,3-6H2,1-2H3
InChIKeyZRZSZIOYKFKFRB-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.78
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83078747
trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol
CID 102733945
3,5-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 107572571
N-(2-chloro-4,6-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 83081941
N-(2-chloro-4,6-difluorophenyl)-2-propan-2-yloxan-4-amine
CID 83081632
N-(2-chloro-4,6-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 83081402
N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 105403288
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
CID 103562281
2-chloro-N-(3-cyclopropylcyclohexyl)-4,6-difluoroaniline
CID 83082038
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
3,5-dichloro-6-hydrazinyl-N-(2-propan-2-ylcyclohexyl)pyridin-2-amine
CID 102762483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline (CID 83081176) is 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCCC1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline?
The InChIKey is ZRZSZIOYKFKFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N/c1-9(2)11-5-3-4-6-14(11)19-15-12(16)7-10(17)8-13(15)18/h7-9,11,14,19H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline?
2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline has a molecular weight of 287.78 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 83081176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).