5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane

C16H20BrF3N2 — CID 143399613

IUPAC5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane
SMILESC.CC.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H10BrF3N2.C2H6.CH4/c14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;1-2;/h1-6,8H,7H2,(H,18,19);1-2H3;1H4
InChIKeyFFUWXFAJNPKAOF-UHFFFAOYSA-N
MW377.25 g/mol
LogP6.14
Rot. Bonds3

About 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane

5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane (PubChem CID 143399613) has the molecular formula C16H20BrF3N2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane.

Molecular Properties

Compound Name5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane
PubChem CID143399613
Molecular FormulaC16H20BrF3N2
Molecular Weight377.25 g/mol
Exact Mass376.08
IUPAC Name5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane
SMILESC.CC.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H10BrF3N2.C2H6.CH4/c14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;1-2;/h1-6,8H,7H2,(H,18,19);1-2H3;1H4
InChIKeyFFUWXFAJNPKAOF-UHFFFAOYSA-N
XLogP6.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane?
The IUPAC name of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane (CID 143399613) is 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane.
What is the SMILES notation for 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane?
The canonical SMILES for 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane is C.CC.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane?
The InChIKey is FFUWXFAJNPKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2.C2H6.CH4/c14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;1-2;/h1-6,8H,7H2,(H,18,19);1-2H3;1H4.
What are the key properties of 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane?
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane has a molecular weight of 377.25 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;ethane;methane is sourced from PubChem (CID 143399613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).