5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C15H20BrF3N2 — CID 106796009

IUPAC5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCC1CCC(CNc2ncc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20BrF3N2/c1-2-10-3-5-11(6-4-10)8-20-14-13(15(17,18)19)7-12(16)9-21-14/h7,9-11H,2-6,8H2,1H3,(H,20,21)
InChIKeyJSWBIZHIMLLYPU-UHFFFAOYSA-N
MW365.24 g/mol
LogP5.49
Rot. Bonds4

About 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796009) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796009
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCC1CCC(CNc2ncc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20BrF3N2/c1-2-10-3-5-11(6-4-10)8-20-14-13(15(17,18)19)7-12(16)9-21-14/h7,9-11H,2-6,8H2,1H3,(H,20,21)
InChIKeyJSWBIZHIMLLYPU-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.24
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 106796244
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106795988
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796009) is 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is CCC1CCC(CNc2ncc(Br)cc2C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JSWBIZHIMLLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-2-10-3-5-11(6-4-10)8-20-14-13(15(17,18)19)7-12(16)9-21-14/h7,9-11H,2-6,8H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 365.24 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).