N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine

C15H17N3O — CID 102613241

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1nccnc1C(C)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H17N3O/c1-10-15(17-7-6-16-10)11(2)18-13-3-4-14-12(9-13)5-8-19-14/h3-4,6-7,9,11,18H,5,8H2,1-2H3
InChIKeyOQOFLWGQQNQXBU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine

N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 102613241) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID102613241
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1nccnc1C(C)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H17N3O/c1-10-15(17-7-6-16-10)11(2)18-13-3-4-14-12(9-13)5-8-19-14/h3-4,6-7,9,11,18H,5,8H2,1-2H3
InChIKeyOQOFLWGQQNQXBU-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol
CID 43732552
6-bromo-N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102613385
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788569
N-[1-(2,4-dichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732776
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613155
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 82963206
5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782617
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N-[1-(3-methylpyrazin-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102613252
3-bromo-4-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613235

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine (CID 102613241) is N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine is Cc1nccnc1C(C)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is OQOFLWGQQNQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-15(17-7-6-16-10)11(2)18-13-3-4-14-12(9-13)5-8-19-14/h3-4,6-7,9,11,18H,5,8H2,1-2H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 255.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 102613241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).