1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine

C13H17NO2 — CID 65440138

IUPAC1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cc(C)cc(OC)c2o1
InChIInChI=1S/C13H17NO2/c1-8-5-10-7-11(9(2)14-3)16-13(10)12(6-8)15-4/h5-7,9,14H,1-4H3
InChIKeyPCXALLSSDLUTLG-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.03
Rot. Bonds3

About 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine

1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 65440138) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID65440138
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cc(C)cc(OC)c2o1
InChIInChI=1S/C13H17NO2/c1-8-5-10-7-11(9(2)14-3)16-13(10)12(6-8)15-4/h5-7,9,14H,1-4H3
InChIKeyPCXALLSSDLUTLG-UHFFFAOYSA-N
XLogP3.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxy-5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441128
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
CID 65440371
1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440790
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65439587
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440366
1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 107662182
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 107669295
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 65438613

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 65440138) is 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1cc2cc(C)cc(OC)c2o1.
What is the InChIKey of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is PCXALLSSDLUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-10-7-11(9(2)14-3)16-13(10)12(6-8)15-4/h5-7,9,14H,1-4H3.
What are the key properties of 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 219.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 65440138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).