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

C15H24N2O — CID 10753096

IUPAC7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(N)c(C)c2c(c1CN(C)C)OC(C)(C)C2
InChIInChI=1S/C15H24N2O/c1-9-11-7-15(3,4)18-14(11)12(8-17(5)6)10(2)13(9)16/h7-8,16H2,1-6H3
InChIKeyKUIQZZYOKZSFEV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds2

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

7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10753096) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10753096
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(N)c(C)c2c(c1CN(C)C)OC(C)(C)C2
InChIInChI=1S/C15H24N2O/c1-9-11-7-15(3,4)18-14(11)12(8-17(5)6)10(2)13(9)16/h7-8,16H2,1-6H3
InChIKeyKUIQZZYOKZSFEV-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine (CID 10753096) is 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine is Cc1c(N)c(C)c2c(c1CN(C)C)OC(C)(C)C2.
What is the InChIKey of 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is KUIQZZYOKZSFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-9-11-7-15(3,4)18-14(11)12(8-17(5)6)10(2)13(9)16/h7-8,16H2,1-6H3.
What are the key properties of 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10753096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).