1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C17H21N3O — CID 63271028

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc3c(c2)CC(C)(C)O3)cn1
InChIInChI=1S/C17H21N3O/c1-12-8-20-15(11-19-12)10-18-9-13-4-5-16-14(6-13)7-17(2,3)21-16/h4-6,8,11,18H,7,9-10H2,1-3H3
InChIKeyHUHHAZWRTDIFML-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 63271028) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID63271028
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc3c(c2)CC(C)(C)O3)cn1
InChIInChI=1S/C17H21N3O/c1-12-8-20-15(11-19-12)10-18-9-13-4-5-16-14(6-13)7-17(2,3)21-16/h4-6,8,11,18H,7,9-10H2,1-3H3
InChIKeyHUHHAZWRTDIFML-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 63271028) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccc3c(c2)CC(C)(C)O3)cn1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is HUHHAZWRTDIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-20-15(11-19-12)10-18-9-13-4-5-16-14(6-13)7-17(2,3)21-16/h4-6,8,11,18H,7,9-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 63271028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).