2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine

C20H25NO2 — CID 10852533

IUPAC2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(COCc1ccccc1)O2
InChIInChI=1S/C20H25NO2/c1-13-14(2)19-17(15(3)18(13)21)10-20(4,23-19)12-22-11-16-8-6-5-7-9-16/h5-9H,10-12,21H2,1-4H3
InChIKeyBOGCOADXMALPIO-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.10
Rot. Bonds4

About 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine

2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine (PubChem CID 10852533) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine
PubChem CID10852533
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(COCc1ccccc1)O2
InChIInChI=1S/C20H25NO2/c1-13-14(2)19-17(15(3)18(13)21)10-20(4,23-19)12-22-11-16-8-6-5-7-9-16/h5-9H,10-12,21H2,1-4H3
InChIKeyBOGCOADXMALPIO-UHFFFAOYSA-N
XLogP4.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-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 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine (CID 10852533) is 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(COCc1ccccc1)O2.
What is the InChIKey of 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine?
The InChIKey is BOGCOADXMALPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-14(2)19-17(15(3)18(13)21)10-20(4,23-19)12-22-11-16-8-6-5-7-9-16/h5-9H,10-12,21H2,1-4H3.
What are the key properties of 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine has a molecular weight of 311.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetramethyl-2-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10852533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).