N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

C15H19BrN2S — CID 105139385

IUPACN-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1cncc(C)c1
InChIInChI=1S/C15H19BrN2S/c1-3-4-18-15(7-14-6-13(16)10-19-14)12-5-11(2)8-17-9-12/h5-6,8-10,15,18H,3-4,7H2,1-2H3
InChIKeyGSKYWNGEAVWPRK-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.50
Rot. Bonds6

About N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105139385) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105139385
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1cncc(C)c1
InChIInChI=1S/C15H19BrN2S/c1-3-4-18-15(7-14-6-13(16)10-19-14)12-5-11(2)8-17-9-12/h5-6,8-10,15,18H,3-4,7H2,1-2H3
InChIKeyGSKYWNGEAVWPRK-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-(4-bromothiophen-2-yl)-1-(5-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

[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105299375
N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030516
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
CID 79779913
N-[2-(4-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]propan-1-amine
CID 105139349
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[2-(2,6-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105022890
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 105139385) is N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)c1cncc(C)c1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is GSKYWNGEAVWPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-3-4-18-15(7-14-6-13(16)10-19-14)12-5-11(2)8-17-9-12/h5-6,8-10,15,18H,3-4,7H2,1-2H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(4-bromothiophen-2-yl)-1-(5-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-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105139385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).