5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine

C14H18BrF3N2 — CID 106796001

IUPAC5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCC1CCCCC1
InChIInChI=1S/C14H18BrF3N2/c15-11-8-12(14(16,17)18)13(20-9-11)19-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,19,20)
InChIKeyFPLGNFVNDYQTNZ-UHFFFAOYSA-N
MW351.21 g/mol
LogP5.25
Rot. Bonds4

About 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796001) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796001
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCC1CCCCC1
InChIInChI=1S/C14H18BrF3N2/c15-11-8-12(14(16,17)18)13(20-9-11)19-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,19,20)
InChIKeyFPLGNFVNDYQTNZ-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.21
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 115148665
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796001) is 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCC1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FPLGNFVNDYQTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c15-11-8-12(14(16,17)18)13(20-9-11)19-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,19,20).
What are the key properties of 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 351.21 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).