N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine

C13H16N2S — CID 115374448

IUPACN-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cncc(C)c1
InChIInChI=1S/C13H16N2S/c1-10-6-11(9-15-8-10)13(14-2)7-12-4-3-5-16-12/h3-6,8-9,13-14H,7H2,1-2H3
InChIKeyZYRLNSFMROKVTC-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine

N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine (PubChem CID 115374448) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
PubChem CID115374448
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cncc(C)c1
InChIInChI=1S/C13H16N2S/c1-10-6-11(9-15-8-10)13(14-2)7-12-4-3-5-16-12/h3-6,8-9,13-14H,7H2,1-2H3
InChIKeyZYRLNSFMROKVTC-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 115922260
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81472047
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
[1-(5-methoxy-3-pyridinyl)-2-thiophen-2-ylethyl]hydrazine
CID 105212005
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine (CID 115374448) is N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1cncc(C)c1.
What is the InChIKey of N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine?
The InChIKey is ZYRLNSFMROKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-6-11(9-15-8-10)13(14-2)7-12-4-3-5-16-12/h3-6,8-9,13-14H,7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine?
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115374448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).