3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C11H15BrF3N3 — CID 62284304

IUPAC3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(Br)cc1CN
InChIInChI=1S/C11H15BrF3N3/c1-7(2)18(6-11(13,14)15)10-8(4-16)3-9(12)5-17-10/h3,5,7H,4,6,16H2,1-2H3
InChIKeyLVWSFRRQUFTNMS-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.08
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 62284304) has the molecular formula C11H15BrF3N3 and a molecular weight of 326.16 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID62284304
Molecular FormulaC11H15BrF3N3
Molecular Weight326.16 g/mol
Exact Mass325.04
IUPAC Name3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(Br)cc1CN
InChIInChI=1S/C11H15BrF3N3/c1-7(2)18(6-11(13,14)15)10-8(4-16)3-9(12)5-17-10/h3,5,7H,4,6,16H2,1-2H3
InChIKeyLVWSFRRQUFTNMS-UHFFFAOYSA-N
XLogP3.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine
CID 62285020
4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 80508750
[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine
CID 66274656
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 55011012
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011059
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 63446077
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803
N-benzyl-5-bromo-3-(chloromethyl)-N-propan-2-ylpyridin-2-amine
CID 63445634

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 62284304) is 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(C)N(CC(F)(F)F)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is LVWSFRRQUFTNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3/c1-7(2)18(6-11(13,14)15)10-8(4-16)3-9(12)5-17-10/h3,5,7H,4,6,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 326.16 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 62284304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).