N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine

C14H17NO2 — CID 63096581

IUPACN-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESC#CCOc1ccc2c(c1)OCC2NCCC
InChIInChI=1S/C14H17NO2/c1-3-7-15-13-10-17-14-9-11(16-8-4-2)5-6-12(13)14/h2,5-6,9,13,15H,3,7-8,10H2,1H3
InChIKeyHWZZEOVIVVDIBK-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.13
Rot. Bonds5

About N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine

N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63096581) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63096581
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESC#CCOc1ccc2c(c1)OCC2NCCC
InChIInChI=1S/C14H17NO2/c1-3-7-15-13-10-17-14-9-11(16-8-4-2)5-6-12(13)14/h2,5-6,9,13,15H,3,7-8,10H2,1H3
InChIKeyHWZZEOVIVVDIBK-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-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 N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine (CID 63096581) is N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine is C#CCOc1ccc2c(c1)OCC2NCCC.
What is the InChIKey of N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HWZZEOVIVVDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-7-15-13-10-17-14-9-11(16-8-4-2)5-6-12(13)14/h2,5-6,9,13,15H,3,7-8,10H2,1H3.
What are the key properties of N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 231.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-prop-2-ynoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63096581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).