N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C15H21F3N2 — CID 66330850

IUPACN-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCC(CCNc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C15H21F3N2/c1-11-2-4-12(5-3-11)6-8-19-14-10-13(7-9-20-14)15(16,17)18/h7,9-12H,2-6,8H2,1H3,(H,19,20)
InChIKeyKYHKPBBBVMPQRL-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.73
Rot. Bonds4

About N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330850) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330850
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCC(CCNc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C15H21F3N2/c1-11-2-4-12(5-3-11)6-8-19-14-10-13(7-9-20-14)15(16,17)18/h7,9-12H,2-6,8H2,1H3,(H,19,20)
InChIKeyKYHKPBBBVMPQRL-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 66330615
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
5-methoxy-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 106504121
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330690

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66330850) is N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is CC1CCC(CCNc2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KYHKPBBBVMPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11-2-4-12(5-3-11)6-8-19-14-10-13(7-9-20-14)15(16,17)18/h7,9-12H,2-6,8H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).