2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline

C15H19ClF3N — CID 43102875

IUPAC2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
SMILESCC1CCCC(C)C1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H19ClF3N/c1-9-4-3-5-10(2)14(9)20-13-8-11(15(17,18)19)6-7-12(13)16/h6-10,14,20H,3-5H2,1-2H3
InChIKeyNZZANCJAKUWIRK-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.60
Rot. Bonds2

About 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline

2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline (PubChem CID 43102875) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
PubChem CID43102875
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
SMILESCC1CCCC(C)C1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H19ClF3N/c1-9-4-3-5-10(2)14(9)20-13-8-11(15(17,18)19)6-7-12(13)16/h6-10,14,20H,3-5H2,1-2H3
InChIKeyNZZANCJAKUWIRK-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
CID 43097322
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-[2-chloro-5-(trifluoromethyl)phenyl]oxetan-3-amine
CID 63622161
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
2-chloro-N-[(4-methylcyclohexylidene)amino]-5-(trifluoromethyl)aniline
CID 4136280
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
CID 43093717
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 17389755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline (CID 43102875) is 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline is CC1CCCC(C)C1Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline?
The InChIKey is NZZANCJAKUWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-9-4-3-5-10(2)14(9)20-13-8-11(15(17,18)19)6-7-12(13)16/h6-10,14,20H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline?
2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline has a molecular weight of 305.77 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43102875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).