6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine

C16H20N2O3 — CID 115466148

IUPAC6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine
SMILESCOCCOc1ccc(NC2CCCc3occc32)cn1
InChIInChI=1S/C16H20N2O3/c1-19-9-10-21-16-6-5-12(11-17-16)18-14-3-2-4-15-13(14)7-8-20-15/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyUZXJNSFGIZQVHT-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.19
Rot. Bonds6

About 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine

6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine (PubChem CID 115466148) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine
PubChem CID115466148
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine
SMILESCOCCOc1ccc(NC2CCCc3occc32)cn1
InChIInChI=1S/C16H20N2O3/c1-19-9-10-21-16-6-5-12(11-17-16)18-14-3-2-4-15-13(14)7-8-20-15/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyUZXJNSFGIZQVHT-UHFFFAOYSA-N
XLogP3.19
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine (CID 115466148) is 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine is COCCOc1ccc(NC2CCCc3occc32)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine?
The InChIKey is UZXJNSFGIZQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-9-10-21-16-6-5-12(11-17-16)18-14-3-2-4-15-13(14)7-8-20-15/h5-8,11,14,18H,2-4,9-10H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine?
6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine has a molecular weight of 288.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridin-3-amine is sourced from PubChem (CID 115466148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).