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

C16H26N2O — CID 10801469

IUPAC2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CCN(C)C)O2
InChIInChI=1S/C16H26N2O/c1-10-11(2)15-13(12(3)14(10)17)9-16(4,19-15)7-8-18(5)6/h7-9,17H2,1-6H3
InChIKeyLMYPMOBDNRKJED-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10801469) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10801469
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CCN(C)C)O2
InChIInChI=1S/C16H26N2O/c1-10-11(2)15-13(12(3)14(10)17)9-16(4,19-15)7-8-18(5)6/h7-9,17H2,1-6H3
InChIKeyLMYPMOBDNRKJED-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
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 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 10801469) is 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CCN(C)C)O2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is LMYPMOBDNRKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-11(2)15-13(12(3)14(10)17)9-16(4,19-15)7-8-18(5)6/h7-9,17H2,1-6H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 262.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10801469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).