N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine

C17H23NO2 — CID 62443231

IUPACN-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESC=CCCOCc1oc2ccccc2c1CNCCC
InChIInChI=1S/C17H23NO2/c1-3-5-11-19-13-17-15(12-18-10-4-2)14-8-6-7-9-16(14)20-17/h3,6-9,18H,1,4-5,10-13H2,2H3
InChIKeyFWWDJWWJTGBZHY-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.03
Rot. Bonds9

About N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine

N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine (PubChem CID 62443231) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
PubChem CID62443231
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESC=CCCOCc1oc2ccccc2c1CNCCC
InChIInChI=1S/C17H23NO2/c1-3-5-11-19-13-17-15(12-18-10-4-2)14-8-6-7-9-16(14)20-17/h3,6-9,18H,1,4-5,10-13H2,2H3
InChIKeyFWWDJWWJTGBZHY-UHFFFAOYSA-N
XLogP4.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62450257
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62444856
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962

Frequently Asked Questions

What is the IUPAC name of N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine (CID 62443231) is N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine is C=CCCOCc1oc2ccccc2c1CNCCC.
What is the InChIKey of N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
The InChIKey is FWWDJWWJTGBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-11-19-13-17-15(12-18-10-4-2)14-8-6-7-9-16(14)20-17/h3,6-9,18H,1,4-5,10-13H2,2H3.
What are the key properties of N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine?
N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62443231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).