N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

C12H13ClN2S — CID 79255691

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cc(Cl)ccn1)Cc1cccs1
InChIInChI=1S/C12H13ClN2S/c1-15(9-12-3-2-6-16-12)8-11-7-10(13)4-5-14-11/h2-7H,8-9H2,1H3
InChIKeyDGDGXPPUHTWBNL-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine

N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 79255691) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID79255691
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
SMILESCN(Cc1cc(Cl)ccn1)Cc1cccs1
InChIInChI=1S/C12H13ClN2S/c1-15(9-12-3-2-6-16-12)8-11-7-10(13)4-5-14-11/h2-7H,8-9H2,1H3
InChIKeyDGDGXPPUHTWBNL-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 79255424
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820
N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245474
4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine
CID 79244699
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 79255512
N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 79255091

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine (CID 79255691) is N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is CN(Cc1cc(Cl)ccn1)Cc1cccs1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is DGDGXPPUHTWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-15(9-12-3-2-6-16-12)8-11-7-10(13)4-5-14-11/h2-7H,8-9H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine?
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 79255691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).