N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine

C14H19NO2 — CID 81049006

IUPACN-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C14H19NO2/c1-4-15-9-14-10(3)12-8-11(16-5-2)6-7-13(12)17-14/h6-8,15H,4-5,9H2,1-3H3
InChIKeySWJPFNRBARCSBW-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.25
Rot. Bonds5

About N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 81049006) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID81049006
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2ccc(OCC)cc2c1C
InChIInChI=1S/C14H19NO2/c1-4-15-9-14-10(3)12-8-11(16-5-2)6-7-13(12)17-14/h6-8,15H,4-5,9H2,1-3H3
InChIKeySWJPFNRBARCSBW-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine (CID 81049006) is N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2ccc(OCC)cc2c1C.
What is the InChIKey of N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is SWJPFNRBARCSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15-9-14-10(3)12-8-11(16-5-2)6-7-13(12)17-14/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 233.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81049006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).