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

C13H15ClN2S — CID 107361874

IUPACN-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1sccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-3-15-12(13-11(14)5-7-17-13)10-4-6-16-9(2)8-10/h4-8,12,15H,3H2,1-2H3
InChIKeyPNDOBJUIQMWJHF-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.80
Rot. Bonds4

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

N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 107361874) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID107361874
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1sccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-3-15-12(13-11(14)5-7-17-13)10-4-6-16-9(2)8-10/h4-8,12,15H,3H2,1-2H3
InChIKeyPNDOBJUIQMWJHF-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[(3-chlorothiophen-2-yl)-isoquinolin-1-ylmethyl]ethanamine
CID 107359738
N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 107360030
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755859
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine (CID 107361874) is N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine is CCNC(c1ccnc(C)c1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is PNDOBJUIQMWJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-3-15-12(13-11(14)5-7-17-13)10-4-6-16-9(2)8-10/h4-8,12,15H,3H2,1-2H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 266.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107361874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).