3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine

C13H15BrN2S — CID 104776944

IUPAC3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
SMILESCC(C)C(Nc1ccncc1Br)c1cccs1
InChIInChI=1S/C13H15BrN2S/c1-9(2)13(12-4-3-7-17-12)16-11-5-6-15-8-10(11)14/h3-9,13H,1-2H3,(H,15,16)
InChIKeyJMNAUMKDWZZBHL-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine

3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine (PubChem CID 104776944) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
PubChem CID104776944
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
SMILESCC(C)C(Nc1ccncc1Br)c1cccs1
InChIInChI=1S/C13H15BrN2S/c1-9(2)13(12-4-3-7-17-12)16-11-5-6-15-8-10(11)14/h3-9,13H,1-2H3,(H,15,16)
InChIKeyJMNAUMKDWZZBHL-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
CID 104776938
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 61166779
2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
CID 106345936
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine (CID 104776944) is 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine is CC(C)C(Nc1ccncc1Br)c1cccs1.
What is the InChIKey of 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine?
The InChIKey is JMNAUMKDWZZBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(2)13(12-4-3-7-17-12)16-11-5-6-15-8-10(11)14/h3-9,13H,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine?
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine has a molecular weight of 311.25 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine is sourced from PubChem (CID 104776944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).