1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine

C18H19NO2 — CID 114732268

IUPAC1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cc3cc(C)ccc3o2)ccc1OC
InChIInChI=1S/C18H19NO2/c1-12-4-6-17-14(8-12)10-18(21-17)13-5-7-16(20-3)15(9-13)11-19-2/h4-10,19H,11H2,1-3H3
InChIKeyVKOVJACDGVPPMF-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.14
Rot. Bonds4

About 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine (PubChem CID 114732268) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
PubChem CID114732268
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cc3cc(C)ccc3o2)ccc1OC
InChIInChI=1S/C18H19NO2/c1-12-4-6-17-14(8-12)10-18(21-17)13-5-7-16(20-3)15(9-13)11-19-2/h4-10,19H,11H2,1-3H3
InChIKeyVKOVJACDGVPPMF-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
CID 114731830
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 116506606
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
CID 112755713
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
CID 24946681
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
CID 61385585
N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732246

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine (CID 114732268) is 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine is CNCc1cc(-c2cc3cc(C)ccc3o2)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is VKOVJACDGVPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-4-6-17-14(8-12)10-18(21-17)13-5-7-16(20-3)15(9-13)11-19-2/h4-10,19H,11H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114732268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).