2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine

C23H31N3O — CID 10248292

IUPAC2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(c3ccccc3)CC1)O2
InChIInChI=1S/C23H31N3O/c1-16-17(2)22-20(18(3)21(16)24)14-23(4,27-22)15-25-10-12-26(13-11-25)19-8-6-5-7-9-19/h5-9H,10-15,24H2,1-4H3
InChIKeyFARNOIANKDYBAV-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.71
Rot. Bonds3

About 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine

2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine (PubChem CID 10248292) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
PubChem CID10248292
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(c3ccccc3)CC1)O2
InChIInChI=1S/C23H31N3O/c1-16-17(2)22-20(18(3)21(16)24)14-23(4,27-22)15-25-10-12-26(13-11-25)19-8-6-5-7-9-19/h5-9H,10-15,24H2,1-4H3
InChIKeyFARNOIANKDYBAV-UHFFFAOYSA-N
XLogP3.71
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.71
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 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine (CID 10248292) is 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(c3ccccc3)CC1)O2.
What is the InChIKey of 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The InChIKey is FARNOIANKDYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-16-17(2)22-20(18(3)21(16)24)14-23(4,27-22)15-25-10-12-26(13-11-25)19-8-6-5-7-9-19/h5-9H,10-15,24H2,1-4H3.
What are the key properties of 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine has a molecular weight of 365.52 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10248292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).