2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine

C19H23NO — CID 10707978

IUPAC2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1Nc1ccccc1)CC(C)(C)O2
InChIInChI=1S/C19H23NO/c1-12-13(2)18-16(11-19(4,5)21-18)14(3)17(12)20-15-9-7-6-8-10-15/h6-10,20H,11H2,1-5H3
InChIKeyVKMFRDXZHDJODA-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.07
Rot. Bonds2

About 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine

2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine (PubChem CID 10707978) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine
PubChem CID10707978
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1Nc1ccccc1)CC(C)(C)O2
InChIInChI=1S/C19H23NO/c1-12-13(2)18-16(11-19(4,5)21-18)14(3)17(12)20-15-9-7-6-8-10-15/h6-10,20H,11H2,1-5H3
InChIKeyVKMFRDXZHDJODA-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine (CID 10707978) is 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1Nc1ccccc1)CC(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine?
The InChIKey is VKMFRDXZHDJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-13(2)18-16(11-19(4,5)21-18)14(3)17(12)20-15-9-7-6-8-10-15/h6-10,20H,11H2,1-5H3.
What are the key properties of 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine?
2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine has a molecular weight of 281.40 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-N-phenyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10707978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).