3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine

C14H21NO2 — CID 156569114

IUPAC3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc2c(c1)COC2
InChIInChI=1S/C14H21NO2/c1-2-6-15-7-3-8-17-14-5-4-12-10-16-11-13(12)9-14/h4-5,9,15H,2-3,6-8,10-11H2,1H3
InChIKeySLVQNPBWARHMIM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds7

About 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine

3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine (PubChem CID 156569114) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
PubChem CID156569114
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc2c(c1)COC2
InChIInChI=1S/C14H21NO2/c1-2-6-15-7-3-8-17-14-5-4-12-10-16-11-13(12)9-14/h4-5,9,15H,2-3,6-8,10-11H2,1H3
InChIKeySLVQNPBWARHMIM-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine (CID 156569114) is 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine is CCCNCCCOc1ccc2c(c1)COC2.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine?
The InChIKey is SLVQNPBWARHMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-6-15-7-3-8-17-14-5-4-12-10-16-11-13(12)9-14/h4-5,9,15H,2-3,6-8,10-11H2,1H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine?
3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.49, 7 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-5-yloxy)-N-propylpropan-1-amine is sourced from PubChem (CID 156569114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).