2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine

C14H21N3O — CID 54496733

IUPAC2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC1Cc2cc(N)cc(N3CCN(C)CC3)c2O1
InChIInChI=1S/C14H21N3O/c1-10-7-11-8-12(15)9-13(14(11)18-10)17-5-3-16(2)4-6-17/h8-10H,3-7,15H2,1-2H3
InChIKeyXZPZQWUPNPPTOR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.34
Rot. Bonds1

About 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine

2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 54496733) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID54496733
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCC1Cc2cc(N)cc(N3CCN(C)CC3)c2O1
InChIInChI=1S/C14H21N3O/c1-10-7-11-8-12(15)9-13(14(11)18-10)17-5-3-16(2)4-6-17/h8-10H,3-7,15H2,1-2H3
InChIKeyXZPZQWUPNPPTOR-UHFFFAOYSA-N
XLogP1.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine (CID 54496733) is 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine is CC1Cc2cc(N)cc(N3CCN(C)CC3)c2O1.
What is the InChIKey of 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is XZPZQWUPNPPTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-7-11-8-12(15)9-13(14(11)18-10)17-5-3-16(2)4-6-17/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine?
2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 247.34 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 54496733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).