N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine

C15H17N3O — CID 126782877

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
SMILESCC1(C)Cc2cccc(CNc3cnccn3)c2O1
InChIInChI=1S/C15H17N3O/c1-15(2)8-11-4-3-5-12(14(11)19-15)9-18-13-10-16-6-7-17-13/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyAFVNPJASPXPIDT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.80
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine (PubChem CID 126782877) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
PubChem CID126782877
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
SMILESCC1(C)Cc2cccc(CNc3cnccn3)c2O1
InChIInChI=1S/C15H17N3O/c1-15(2)8-11-4-3-5-12(14(11)19-15)9-18-13-10-16-6-7-17-13/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyAFVNPJASPXPIDT-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
CID 116519991
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
CID 107234323
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 71204058
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126769141
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
3-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylaniline
CID 107582306
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115641542
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 64508375
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylaniline
CID 64509027

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine (CID 126782877) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine is CC1(C)Cc2cccc(CNc3cnccn3)c2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine?
The InChIKey is AFVNPJASPXPIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2)8-11-4-3-5-12(14(11)19-15)9-18-13-10-16-6-7-17-13/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 126782877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).