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

C11H11BrN2S — CID 104776798

IUPAC3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1Br)c1cccs1
InChIInChI=1S/C11H11BrN2S/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h2-8H,1H3,(H,13,14)
InChIKeyNIQDDKQSJRMFJP-UHFFFAOYSA-N
MW283.19 g/mol
LogP4.08
Rot. Bonds3

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

3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine (PubChem CID 104776798) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
PubChem CID104776798
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1Br)c1cccs1
InChIInChI=1S/C11H11BrN2S/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h2-8H,1H3,(H,13,14)
InChIKeyNIQDDKQSJRMFJP-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
CID 104776938
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
CID 104776934
8-nitro-N-(1-thiophen-2-ylethyl)isoquinolin-5-amine
CID 43397782
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716
5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
CID 115576984
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine (CID 104776798) is 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine is CC(Nc1ccncc1Br)c1cccs1.
What is the InChIKey of 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine?
The InChIKey is NIQDDKQSJRMFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h2-8H,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine?
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine has a molecular weight of 283.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine is sourced from PubChem (CID 104776798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).