N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine

C13H15BrN2S — CID 79595213

IUPACN-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cscc1Br)c1ncccc1C
InChIInChI=1S/C13H15BrN2S/c1-3-15-13(10-7-17-8-11(10)14)12-9(2)5-4-6-16-12/h4-8,13,15H,3H2,1-2H3
InChIKeyRLJXDFDJEGDXRN-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.91
Rot. Bonds4

About N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine

N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 79595213) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID79595213
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cscc1Br)c1ncccc1C
InChIInChI=1S/C13H15BrN2S/c1-3-15-13(10-7-17-8-11(10)14)12-9(2)5-4-6-16-12/h4-8,13,15H,3H2,1-2H3
InChIKeyRLJXDFDJEGDXRN-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62548712
[(4-bromothiophen-3-yl)-(3-chloro-2-pyridinyl)methyl]hydrazine
CID 103445884
N-[(2-fluoro-3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 82808223
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105010666
N-[(4-bromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105010839
N-ethyl-1-(3-methyl-2-pyridinyl)but-3-yn-1-amine
CID 62235339
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[(4-bromothiophen-3-yl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530960

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine (CID 79595213) is N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1cscc1Br)c1ncccc1C.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is RLJXDFDJEGDXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-3-15-13(10-7-17-8-11(10)14)12-9(2)5-4-6-16-12/h4-8,13,15H,3H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 79595213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).