2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine

C16H25NO — CID 10729182

IUPAC2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)C(C(C)C)C(C)(C)O2
InChIInChI=1S/C16H25NO/c1-8(2)13-12-11(5)14(17)9(3)10(4)15(12)18-16(13,6)7/h8,13H,17H2,1-7H3
InChIKeyGIFBFZQNLPETAR-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.10
Rot. Bonds1

About 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine

2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine (PubChem CID 10729182) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
PubChem CID10729182
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)C(C(C)C)C(C)(C)O2
InChIInChI=1S/C16H25NO/c1-8(2)13-12-11(5)14(17)9(3)10(4)15(12)18-16(13,6)7/h8,13H,17H2,1-7H3
InChIKeyGIFBFZQNLPETAR-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine (CID 10729182) is 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)C(C(C)C)C(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine?
The InChIKey is GIFBFZQNLPETAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-8(2)13-12-11(5)14(17)9(3)10(4)15(12)18-16(13,6)7/h8,13H,17H2,1-7H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine?
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine has a molecular weight of 247.38 g/mol, XLogP of 4.10, 1 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-3-propan-2-yl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).