2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine

C13H16N2O2 — CID 105177427

IUPAC2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccco1)c1cccnc1OC
InChIInChI=1S/C13H16N2O2/c1-14-12(9-10-5-4-8-17-10)11-6-3-7-15-13(11)16-2/h3-8,12,14H,9H2,1-2H3
InChIKeyMOWOHFORFCPEIT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.19
Rot. Bonds5

About 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine

2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 105177427) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID105177427
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccco1)c1cccnc1OC
InChIInChI=1S/C13H16N2O2/c1-14-12(9-10-5-4-8-17-10)11-6-3-7-15-13(11)16-2/h3-8,12,14H,9H2,1-2H3
InChIKeyMOWOHFORFCPEIT-UHFFFAOYSA-N
XLogP2.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine (CID 105177427) is 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccco1)c1cccnc1OC.
What is the InChIKey of 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is MOWOHFORFCPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-12(9-10-5-4-8-17-10)11-6-3-7-15-13(11)16-2/h3-8,12,14H,9H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine?
2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105177427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).