1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine

C12H14N2S — CID 106752851

IUPAC1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1cc(CNCc2cccs2)ccn1
InChIInChI=1S/C12H14N2S/c1-10-7-11(4-5-14-10)8-13-9-12-3-2-6-15-12/h2-7,13H,8-9H2,1H3
InChIKeyBFRKFVSJPRCKCK-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine

1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 106752851) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID106752851
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1cc(CNCc2cccs2)ccn1
InChIInChI=1S/C12H14N2S/c1-10-7-11(4-5-14-10)8-13-9-12-3-2-6-15-12/h2-7,13H,8-9H2,1H3
InChIKeyBFRKFVSJPRCKCK-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine (CID 106752851) is 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine is Cc1cc(CNCc2cccs2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BFRKFVSJPRCKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10-7-11(4-5-14-10)8-13-9-12-3-2-6-15-12/h2-7,13H,8-9H2,1H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 218.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 106752851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).