1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

C17H23NO2 — CID 103903386

IUPAC1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-13(18-12-17(2)7-9-19-10-8-17)16-11-14-5-3-4-6-15(14)20-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyFGVIVWYNTSFONQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.90
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (PubChem CID 103903386) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
PubChem CID103903386
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-13(18-12-17(2)7-9-19-10-8-17)16-11-14-5-3-4-6-15(14)20-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyFGVIVWYNTSFONQ-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine (CID 103903386) is 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is CC(NCC1(C)CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
The InChIKey is FGVIVWYNTSFONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(18-12-17(2)7-9-19-10-8-17)16-11-14-5-3-4-6-15(14)20-16/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 103903386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).