1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine

C18H15NO2 — CID 63326539

IUPAC1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C18H15NO2/c1-11-6-7-15-13(8-11)10-17(21-15)18(19)16-9-12-4-2-3-5-14(12)20-16/h2-10,18H,19H2,1H3
InChIKeyVZISHQXJAJNBNX-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.54
Rot. Bonds2

About 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine

1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 63326539) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID63326539
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C18H15NO2/c1-11-6-7-15-13(8-11)10-17(21-15)18(19)16-9-12-4-2-3-5-14(12)20-16/h2-10,18H,19H2,1H3
InChIKeyVZISHQXJAJNBNX-UHFFFAOYSA-N
XLogP4.54
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine (CID 63326539) is 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine is Cc1ccc2oc(C(N)c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is VZISHQXJAJNBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-6-7-15-13(8-11)10-17(21-15)18(19)16-9-12-4-2-3-5-14(12)20-16/h2-10,18H,19H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine?
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 277.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63326539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).