N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine

C16H23NO2 — CID 104843048

IUPACN-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCOc1cccc2c(CC)c(CNCC)oc12
InChIInChI=1S/C16H23NO2/c1-4-10-18-14-9-7-8-13-12(5-2)15(11-17-6-3)19-16(13)14/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyZHPSVMSBXNOHIH-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.89
Rot. Bonds7

About N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine

N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 104843048) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID104843048
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCOc1cccc2c(CC)c(CNCC)oc12
InChIInChI=1S/C16H23NO2/c1-4-10-18-14-9-7-8-13-12(5-2)15(11-17-6-3)19-16(13)14/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyZHPSVMSBXNOHIH-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
CID 104842836
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 114358931
N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843086
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376817
N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
CID 104843107

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 104843048) is N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine is CCCOc1cccc2c(CC)c(CNCC)oc12.
What is the InChIKey of N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is ZHPSVMSBXNOHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-10-18-14-9-7-8-13-12(5-2)15(11-17-6-3)19-16(13)14/h7-9,17H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 261.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 104843048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).