N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine

C15H14N2OS — CID 106486410

IUPACN-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine
SMILESCNCc1cccc(Oc2nccc3sccc23)c1
InChIInChI=1S/C15H14N2OS/c1-16-10-11-3-2-4-12(9-11)18-15-13-6-8-19-14(13)5-7-17-15/h2-9,16H,10H2,1H3
InChIKeyZJUMNIBUSXWWFU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.81
Rot. Bonds4

About N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine

N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine (PubChem CID 106486410) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine
PubChem CID106486410
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine
SMILESCNCc1cccc(Oc2nccc3sccc23)c1
InChIInChI=1S/C15H14N2OS/c1-16-10-11-3-2-4-12(9-11)18-15-13-6-8-19-14(13)5-7-17-15/h2-9,16H,10H2,1H3
InChIKeyZJUMNIBUSXWWFU-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine (CID 106486410) is N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine is CNCc1cccc(Oc2nccc3sccc23)c1.
What is the InChIKey of N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine?
The InChIKey is ZJUMNIBUSXWWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-16-10-11-3-2-4-12(9-11)18-15-13-6-8-19-14(13)5-7-17-15/h2-9,16H,10H2,1H3.
What are the key properties of N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine?
N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine has a molecular weight of 270.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine is sourced from PubChem (CID 106486410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).