1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C13H16N2OS — CID 102841398

IUPAC1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccncc1OC)c1ccsc1C
InChIInChI=1S/C13H16N2OS/c1-9-10(5-7-17-9)13(14-2)11-4-6-15-8-12(11)16-3/h4-8,13-14H,1-3H3
InChIKeyJJFRGRIDHYYFEX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841398) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102841398
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccncc1OC)c1ccsc1C
InChIInChI=1S/C13H16N2OS/c1-9-10(5-7-17-9)13(14-2)11-4-6-15-8-12(11)16-3/h4-8,13-14H,1-3H3
InChIKeyJJFRGRIDHYYFEX-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840619
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471
1-(3,5-dimethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065247
[(3-methoxy-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322474
1-(5-fluoro-2-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065509
1-(2,4-difluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065529
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066142
1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349
1-(3-fluoro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 107130336
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-cyclopentyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065154

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102841398) is 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccncc1OC)c1ccsc1C.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is JJFRGRIDHYYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-10(5-7-17-9)13(14-2)11-4-6-15-8-12(11)16-3/h4-8,13-14H,1-3H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).