[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine

C11H12N2OS — CID 62321392

IUPAC[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OCc2cccs2)ccn1
InChIInChI=1S/C11H12N2OS/c12-7-9-6-10(3-4-13-9)14-8-11-2-1-5-15-11/h1-6H,7-8,12H2
InChIKeyLZXXFWVHTZSRES-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.18
Rot. Bonds4

About [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine

[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine (PubChem CID 62321392) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
PubChem CID62321392
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OCc2cccs2)ccn1
InChIInChI=1S/C11H12N2OS/c12-7-9-6-10(3-4-13-9)14-8-11-2-1-5-15-11/h1-6H,7-8,12H2
InChIKeyLZXXFWVHTZSRES-UHFFFAOYSA-N
XLogP2.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine (CID 62321392) is [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine is NCc1cc(OCc2cccs2)ccn1.
What is the InChIKey of [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine?
The InChIKey is LZXXFWVHTZSRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-7-9-6-10(3-4-13-9)14-8-11-2-1-5-15-11/h1-6H,7-8,12H2.
What are the key properties of [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine?
[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine has a molecular weight of 220.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62321392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).