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

C14H18N2S — CID 106756018

IUPACN-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1ccsc1C
InChIInChI=1S/C14H18N2S/c1-4-15-14(13-6-8-17-11(13)3)12-5-7-16-10(2)9-12/h5-9,14-15H,4H2,1-3H3
InChIKeyAMUNXUHNEBZJSV-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.46
Rot. Bonds4

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

N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 106756018) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID106756018
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1ccsc1C
InChIInChI=1S/C14H18N2S/c1-4-15-14(13-6-8-17-11(13)3)12-5-7-16-10(2)9-12/h5-9,14-15H,4H2,1-3H3
InChIKeyAMUNXUHNEBZJSV-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107361874
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841300
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833538
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 114033835

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 106756018) is N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccnc(C)c1)c1ccsc1C.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is AMUNXUHNEBZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-15-14(13-6-8-17-11(13)3)12-5-7-16-10(2)9-12/h5-9,14-15H,4H2,1-3H3.
What are the key properties of N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 106756018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).