N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine

C17H25NO3 — CID 63685145

IUPACN-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCCOCCOCc1oc2ccccc2c1CNCC
InChIInChI=1S/C17H25NO3/c1-3-9-19-10-11-20-13-17-15(12-18-4-2)14-7-5-6-8-16(14)21-17/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyNITJVEKUGXOEFO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.49
Rot. Bonds10

About N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine

N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 63685145) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID63685145
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCCOCCOCc1oc2ccccc2c1CNCC
InChIInChI=1S/C17H25NO3/c1-3-9-19-10-11-20-13-17-15(12-18-4-2)14-7-5-6-8-16(14)21-17/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyNITJVEKUGXOEFO-UHFFFAOYSA-N
XLogP3.49
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (CID 63685145) is N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is CCCOCCOCc1oc2ccccc2c1CNCC.
What is the InChIKey of N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is NITJVEKUGXOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-9-19-10-11-20-13-17-15(12-18-4-2)14-7-5-6-8-16(14)21-17/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 291.39 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 63685145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).