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

C14H17BrN2S — CID 105164352

IUPACN-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)c1cnccc1C
InChIInChI=1S/C14H17BrN2S/c1-3-5-17-14(11-7-13(15)18-9-11)12-8-16-6-4-10(12)2/h4,6-9,14,17H,3,5H2,1-2H3
InChIKeyCRGCXSMSPDBUGT-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.30
Rot. Bonds5

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

N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105164352) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105164352
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC NameN-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)c1cnccc1C
InChIInChI=1S/C14H17BrN2S/c1-3-5-17-14(11-7-13(15)18-9-11)12-8-16-6-4-10(12)2/h4,6-9,14,17H,3,5H2,1-2H3
InChIKeyCRGCXSMSPDBUGT-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]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-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(4-bromo-3-chlorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006637
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(5-bromothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 107960818
N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105167470
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105164352) is N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1csc(Br)c1)c1cnccc1C.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is CRGCXSMSPDBUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-5-17-14(11-7-13(15)18-9-11)12-8-16-6-4-10(12)2/h4,6-9,14,17H,3,5H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105164352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).