3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine

C14H16N2O — CID 142525776

IUPAC3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
SMILESCN.c1cncc(-c2cccc3c2COC3)c1
InChIInChI=1S/C13H11NO.CH5N/c1-3-11-8-15-9-13(11)12(5-1)10-4-2-6-14-7-10;1-2/h1-7H,8-9H2;2H2,1H3
InChIKeyZIGDOUSSBMMIKN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds1

About 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine

3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine (PubChem CID 142525776) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
PubChem CID142525776
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
SMILESCN.c1cncc(-c2cccc3c2COC3)c1
InChIInChI=1S/C13H11NO.CH5N/c1-3-11-8-15-9-13(11)12(5-1)10-4-2-6-14-7-10;1-2/h1-7H,8-9H2;2H2,1H3
InChIKeyZIGDOUSSBMMIKN-UHFFFAOYSA-N
XLogP2.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine (CID 142525776) is 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine is CN.c1cncc(-c2cccc3c2COC3)c1.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine?
The InChIKey is ZIGDOUSSBMMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.CH5N/c1-3-11-8-15-9-13(11)12(5-1)10-4-2-6-14-7-10;1-2/h1-7H,8-9H2;2H2,1H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine?
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine is sourced from PubChem (CID 142525776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).