N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine

C15H19BrN2S — CID 105139481

IUPACN-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1ccc(C)nc1
InChIInChI=1S/C15H19BrN2S/c1-3-7-17-14(9-15-13(16)6-8-19-15)12-5-4-11(2)18-10-12/h4-6,8,10,14,17H,3,7,9H2,1-2H3
InChIKeyVKARGDTVDKUKTK-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.50
Rot. Bonds6

About N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105139481) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105139481
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1ccc(C)nc1
InChIInChI=1S/C15H19BrN2S/c1-3-7-17-14(9-15-13(16)6-8-19-15)12-5-4-11(2)18-10-12/h4-6,8,10,14,17H,3,7,9H2,1-2H3
InChIKeyVKARGDTVDKUKTK-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine 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

N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N-[2-(3-bromothiophen-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]propan-1-amine
CID 115848866
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115849084
N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 105139481) is N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)c1ccc(C)nc1.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is VKARGDTVDKUKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-3-7-17-14(9-15-13(16)6-8-19-15)12-5-4-11(2)18-10-12/h4-6,8,10,14,17H,3,7,9H2,1-2H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105139481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).