5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine

C12H16BrF3N2 — CID 106796138

IUPAC5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCC(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H16BrF3N2/c1-3-4-5-8(2)18-11-10(12(14,15)16)6-9(13)7-17-11/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyNNVOOWJXAMBNAD-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.85
Rot. Bonds5

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

5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796138) has the molecular formula C12H16BrF3N2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796138
Molecular FormulaC12H16BrF3N2
Molecular Weight325.17 g/mol
Exact Mass324.04
IUPAC Name5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCC(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H16BrF3N2/c1-3-4-5-8(2)18-11-10(12(14,15)16)6-9(13)7-17-11/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyNNVOOWJXAMBNAD-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63541338
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine (CID 106796138) is 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine is CCCCC(C)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NNVOOWJXAMBNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2/c1-3-4-5-8(2)18-11-10(12(14,15)16)6-9(13)7-17-11/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 325.17 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).