N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine

C13H15FN2S — CID 102833538

IUPACN-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)c1ncccc1F
InChIInChI=1S/C13H15FN2S/c1-3-15-12(10-6-8-17-9(10)2)13-11(14)5-4-7-16-13/h4-8,12,15H,3H2,1-2H3
InChIKeyNFZQIGGAYRUNED-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine

N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102833538) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102833538
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)c1ncccc1F
InChIInChI=1S/C13H15FN2S/c1-3-15-12(10-6-8-17-9(10)2)13-11(14)5-4-7-16-13/h4-8,12,15H,3H2,1-2H3
InChIKeyNFZQIGGAYRUNED-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842986
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715
N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841300
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102833538) is N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1C)c1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is NFZQIGGAYRUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-15-12(10-6-8-17-9(10)2)13-11(14)5-4-7-16-13/h4-8,12,15H,3H2,1-2H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102833538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).