3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine

C13H16N2O2 — CID 117177561

IUPAC3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine
SMILESNc1ccc2c(CN3CCOCC3)coc2c1
InChIInChI=1S/C13H16N2O2/c14-11-1-2-12-10(9-17-13(12)7-11)8-15-3-5-16-6-4-15/h1-2,7,9H,3-6,8,14H2
InChIKeyHRQHEEYGAILSHX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.85
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine

3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine (PubChem CID 117177561) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine
PubChem CID117177561
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine
SMILESNc1ccc2c(CN3CCOCC3)coc2c1
InChIInChI=1S/C13H16N2O2/c14-11-1-2-12-10(9-17-13(12)7-11)8-15-3-5-16-6-4-15/h1-2,7,9H,3-6,8,14H2
InChIKeyHRQHEEYGAILSHX-UHFFFAOYSA-N
XLogP1.85
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine (CID 117177561) is 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine is Nc1ccc2c(CN3CCOCC3)coc2c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine?
The InChIKey is HRQHEEYGAILSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-11-1-2-12-10(9-17-13(12)7-11)8-15-3-5-16-6-4-15/h1-2,7,9H,3-6,8,14H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine?
3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine has a molecular weight of 232.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-benzofuran-6-amine is sourced from PubChem (CID 117177561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).