1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

C14H19NO2 — CID 104842971

IUPAC1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCOc1cccc2c(CC)c(CNC)oc12
InChIInChI=1S/C14H19NO2/c1-4-10-11-7-6-8-12(16-5-2)14(11)17-13(10)9-15-3/h6-8,15H,4-5,9H2,1-3H3
InChIKeyDPOZLQMRLKKKGP-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.11
Rot. Bonds5

About 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 104842971) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID104842971
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCOc1cccc2c(CC)c(CNC)oc12
InChIInChI=1S/C14H19NO2/c1-4-10-11-7-6-8-12(16-5-2)14(11)17-13(10)9-15-3/h6-8,15H,4-5,9H2,1-3H3
InChIKeyDPOZLQMRLKKKGP-UHFFFAOYSA-N
XLogP3.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
1-(5-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459832
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376817
1-(2-bromo-6-ethoxyphenyl)-N-methylmethanamine
CID 83899796
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 104842971) is 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine is CCOc1cccc2c(CC)c(CNC)oc12.
What is the InChIKey of 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is DPOZLQMRLKKKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-11-7-6-8-12(16-5-2)14(11)17-13(10)9-15-3/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 233.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104842971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).