N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine

C13H16N2S — CID 63306075

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cccnc1CNC(C)c1cccs1
InChIInChI=1S/C13H16N2S/c1-10-5-3-7-14-12(10)9-15-11(2)13-6-4-8-16-13/h3-8,11,15H,9H2,1-2H3
InChIKeyFIFGBSPUGNTGPS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.30
Rot. Bonds4

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

N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 63306075) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID63306075
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cccnc1CNC(C)c1cccs1
InChIInChI=1S/C13H16N2S/c1-10-5-3-7-14-12(10)9-15-11(2)13-6-4-8-16-13/h3-8,11,15H,9H2,1-2H3
InChIKeyFIFGBSPUGNTGPS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43534519
N-[(3-methyl-2-pyridinyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81344827
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine (CID 63306075) is N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine is Cc1cccnc1CNC(C)c1cccs1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is FIFGBSPUGNTGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-5-3-7-14-12(10)9-15-11(2)13-6-4-8-16-13/h3-8,11,15H,9H2,1-2H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine?
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63306075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).