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

C18H29N3O — CID 10494677

IUPAC2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(C)CC1)O2
InChIInChI=1S/C18H29N3O/c1-12-13(2)17-15(14(3)16(12)19)10-18(4,22-17)11-21-8-6-20(5)7-9-21/h6-11,19H2,1-5H3
InChIKeyDJRAXPXYCLABSD-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.14
Rot. Bonds2

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

2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine (PubChem CID 10494677) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
PubChem CID10494677
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(C)CC1)O2
InChIInChI=1S/C18H29N3O/c1-12-13(2)17-15(14(3)16(12)19)10-18(4,22-17)11-21-8-6-20(5)7-9-21/h6-11,19H2,1-5H3
InChIKeyDJRAXPXYCLABSD-UHFFFAOYSA-N
XLogP2.14
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.14
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-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine (CID 10494677) is 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCN(C)CC1)O2.
What is the InChIKey of 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The InChIKey is DJRAXPXYCLABSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-12-13(2)17-15(14(3)16(12)19)10-18(4,22-17)11-21-8-6-20(5)7-9-21/h6-11,19H2,1-5H3.
What are the key properties of 2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine has a molecular weight of 303.45 g/mol, XLogP of 2.14, 2 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-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10494677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).