1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine

C18H19NO2 — CID 103433505

IUPAC1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2cc3ccccc3o2)ccc(C)c1C
InChIInChI=1S/C18H19NO2/c1-11-8-9-14(18(20-3)12(11)2)17(19)16-10-13-6-4-5-7-15(13)21-16/h4-10,17H,19H2,1-3H3
InChIKeyKTRMGCPJGXTSNH-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.11
Rot. Bonds3

About 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine

1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433505) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433505
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2cc3ccccc3o2)ccc(C)c1C
InChIInChI=1S/C18H19NO2/c1-11-8-9-14(18(20-3)12(11)2)17(19)16-10-13-6-4-5-7-15(13)21-16/h4-10,17H,19H2,1-3H3
InChIKeyKTRMGCPJGXTSNH-UHFFFAOYSA-N
XLogP4.11
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
CID 67751602
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433505) is 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)c2cc3ccccc3o2)ccc(C)c1C.
What is the InChIKey of 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is KTRMGCPJGXTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-8-9-14(18(20-3)12(11)2)17(19)16-10-13-6-4-5-7-15(13)21-16/h4-10,17H,19H2,1-3H3.
What are the key properties of 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine?
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).