2,2,3,3-tetramethyl-1-benzofuran-5-amine

C12H17NO — CID 141279803

IUPAC2,2,3,3-tetramethyl-1-benzofuran-5-amine
SMILESCC1(C)Oc2ccc(N)cc2C1(C)C
InChIInChI=1S/C12H17NO/c1-11(2)9-7-8(13)5-6-10(9)14-12(11,3)4/h5-7H,13H2,1-4H3
InChIKeyVULRMEMFIKUXCF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds

About 2,2,3,3-tetramethyl-1-benzofuran-5-amine

2,2,3,3-tetramethyl-1-benzofuran-5-amine (PubChem CID 141279803) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-benzofuran-5-amine
PubChem CID141279803
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,2,3,3-tetramethyl-1-benzofuran-5-amine
SMILESCC1(C)Oc2ccc(N)cc2C1(C)C
InChIInChI=1S/C12H17NO/c1-11(2)9-7-8(13)5-6-10(9)14-12(11,3)4/h5-7H,13H2,1-4H3
InChIKeyVULRMEMFIKUXCF-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-benzofuran-5-amine?
The IUPAC name of 2,2,3,3-tetramethyl-1-benzofuran-5-amine (CID 141279803) is 2,2,3,3-tetramethyl-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-benzofuran-5-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-1-benzofuran-5-amine is CC1(C)Oc2ccc(N)cc2C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1-benzofuran-5-amine?
The InChIKey is VULRMEMFIKUXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(2)9-7-8(13)5-6-10(9)14-12(11,3)4/h5-7H,13H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-1-benzofuran-5-amine?
2,2,3,3-tetramethyl-1-benzofuran-5-amine has a molecular weight of 191.27 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-benzofuran-5-amine is sourced from PubChem (CID 141279803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).