N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine

C17H23NO2 — CID 103904996

IUPACN-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESC=CCCOCCNC(C)c1oc2ccccc2c1C
InChIInChI=1S/C17H23NO2/c1-4-5-11-19-12-10-18-14(3)17-13(2)15-8-6-7-9-16(15)20-17/h4,6-9,14,18H,1,5,10-12H2,2-3H3
InChIKeyZVOUCCWVGIGPMH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.98
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine

N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 103904996) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID103904996
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESC=CCCOCCNC(C)c1oc2ccccc2c1C
InChIInChI=1S/C17H23NO2/c1-4-5-11-19-12-10-18-14(3)17-13(2)15-8-6-7-9-16(15)20-17/h4,6-9,14,18H,1,5,10-12H2,2-3H3
InChIKeyZVOUCCWVGIGPMH-UHFFFAOYSA-N
XLogP3.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine (CID 103904996) is N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine is C=CCCOCCNC(C)c1oc2ccccc2c1C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is ZVOUCCWVGIGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-5-11-19-12-10-18-14(3)17-13(2)15-8-6-7-9-16(15)20-17/h4,6-9,14,18H,1,5,10-12H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 103904996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).