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

C14H21NO2 — CID 10633526

IUPAC2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCOCC1(C)Cc2c(C)c(N)c(C)c(C)c2O1
InChIInChI=1S/C14H21NO2/c1-8-9(2)13-11(10(3)12(8)15)6-14(4,17-13)7-16-5/h6-7,15H2,1-5H3
InChIKeyYGBPWCHWOUYRMI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.53
Rot. Bonds2

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

2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10633526) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10633526
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCOCC1(C)Cc2c(C)c(N)c(C)c(C)c2O1
InChIInChI=1S/C14H21NO2/c1-8-9(2)13-11(10(3)12(8)15)6-14(4,17-13)7-16-5/h6-7,15H2,1-5H3
InChIKeyYGBPWCHWOUYRMI-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.53
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-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 10633526) is 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is COCC1(C)Cc2c(C)c(N)c(C)c(C)c2O1.
What is the InChIKey of 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is YGBPWCHWOUYRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8-9(2)13-11(10(3)12(8)15)6-14(4,17-13)7-16-5/h6-7,15H2,1-5H3.
What are the key properties of 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 235.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10633526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).