4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine

C15H21NO3 — CID 62732794

IUPAC4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
SMILESCOCCC(C)NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C15H21NO3/c1-11(7-8-17-2)16-10-13-9-12-5-4-6-14(18-3)15(12)19-13/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyKTHPQYMMUBQLFE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.96
Rot. Bonds7

About 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine

4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine (PubChem CID 62732794) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
PubChem CID62732794
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
SMILESCOCCC(C)NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C15H21NO3/c1-11(7-8-17-2)16-10-13-9-12-5-4-6-14(18-3)15(12)19-13/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyKTHPQYMMUBQLFE-UHFFFAOYSA-N
XLogP2.96
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432802
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
(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
(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
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 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine (CID 62732794) is 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine is COCCC(C)NCc1cc2cccc(OC)c2o1.
What is the InChIKey of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine?
The InChIKey is KTHPQYMMUBQLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(7-8-17-2)16-10-13-9-12-5-4-6-14(18-3)15(12)19-13/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine?
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 62732794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).