2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride

C12H18ClNO — CID 18985091

IUPAC2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride
SMILESCc1cc(C)c2c(c1N)OC(C)(C)C2.Cl
InChIInChI=1S/C12H17NO.ClH/c1-7-5-8(2)10(13)11-9(7)6-12(3,4)14-11;/h5H,6,13H2,1-4H3;1H
InChIKeyPCMXMMBGUFEKOI-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.02
Rot. Bonds

About 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride

2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride (PubChem CID 18985091) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride
PubChem CID18985091
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride
SMILESCc1cc(C)c2c(c1N)OC(C)(C)C2.Cl
InChIInChI=1S/C12H17NO.ClH/c1-7-5-8(2)10(13)11-9(7)6-12(3,4)14-11;/h5H,6,13H2,1-4H3;1H
InChIKeyPCMXMMBGUFEKOI-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.02
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 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride?
The IUPAC name of 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride (CID 18985091) is 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride.
What is the SMILES notation for 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride?
The canonical SMILES for 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride is Cc1cc(C)c2c(c1N)OC(C)(C)C2.Cl.
What is the InChIKey of 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride?
The InChIKey is PCMXMMBGUFEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-7-5-8(2)10(13)11-9(7)6-12(3,4)14-11;/h5H,6,13H2,1-4H3;1H.
What are the key properties of 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride?
2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine;hydrochloride is sourced from PubChem (CID 18985091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).