3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine

C17H25NO2 — CID 63843448

IUPAC3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C17H25NO2/c1-5-13(6-2)12(3)18-11-15-10-14-8-7-9-16(19-4)17(14)20-15/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyJHNSIOOCIMGXAB-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.36
Rot. Bonds7

About 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine

3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine (PubChem CID 63843448) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
PubChem CID63843448
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C17H25NO2/c1-5-13(6-2)12(3)18-11-15-10-14-8-7-9-16(19-4)17(14)20-15/h7-10,12-13,18H,5-6,11H2,1-4H3
InChIKeyJHNSIOOCIMGXAB-UHFFFAOYSA-N
XLogP4.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine with MolForge

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Related Compounds

(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 113352580
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899996
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
CID 62732794
(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 39965978
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432802
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63967269
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine (CID 63843448) is 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine is CCC(CC)C(C)NCc1cc2cccc(OC)c2o1.
What is the InChIKey of 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine?
The InChIKey is JHNSIOOCIMGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-13(6-2)12(3)18-11-15-10-14-8-7-9-16(19-4)17(14)20-15/h7-10,12-13,18H,5-6,11H2,1-4H3.
What are the key properties of 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine?
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 63843448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).