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'}

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Related Compounds

6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875
3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
CID 63097104
methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
CID 63949104
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050
2-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoic acid
CID 55182410
N-propyl-6-(1,3-thiazol-4-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63094821
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096227
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
CID 63094817
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
CID 63095339

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).