N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine

C13H15BrN2OS — CID 114054416

IUPACN-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1ncccc1OC
InChIInChI=1S/C13H15BrN2OS/c1-3-15-12(9-7-11(14)18-8-9)13-10(17-2)5-4-6-16-13/h4-8,12,15H,3H2,1-2H3
InChIKeyCYHLRQBIYZOAPR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.61
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine

N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 114054416) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID114054416
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC NameN-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1ncccc1OC
InChIInChI=1S/C13H15BrN2OS/c1-3-15-12(9-7-11(14)18-8-9)13-10(17-2)5-4-6-16-13/h4-8,12,15H,3H2,1-2H3
InChIKeyCYHLRQBIYZOAPR-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-3-yl)-(3-methoxy-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

1-(5-bromothiophen-3-yl)-1-(3-methoxy-2-pyridinyl)-N-methylmethanamine
CID 114054432
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(5-bromothiophen-3-yl)-(3-chloro-2,4-dimethoxyphenyl)methyl]ethanamine
CID 107961375
N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
N-[(3-bromo-4-propoxyphenyl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107961353
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
3-ethoxy-N-ethyl-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 114054018
N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135400
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 114053820
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568
[(5-bromothiophen-3-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105304440
N-[(5-bromo-2-methoxyphenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 107960800

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine (CID 114054416) is N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine is CCNC(c1csc(Br)c1)c1ncccc1OC.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is CYHLRQBIYZOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-3-15-12(9-7-11(14)18-8-9)13-10(17-2)5-4-6-16-13/h4-8,12,15H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine?
N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 327.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(3-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114054416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).