2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride

C13H20ClNO — CID 19078585

IUPAC2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride
SMILESCc1c(C)c(N)c2c(c1C)CC(C)(C)O2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-7-8(2)10-6-13(4,5)15-12(10)11(14)9(7)3;/h6,14H2,1-5H3;1H
InChIKeyHEIYQXMRAHRLQT-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.33
Rot. Bonds

About 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride

2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride (PubChem CID 19078585) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride.

Molecular Properties

Compound Name2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride
PubChem CID19078585
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride
SMILESCc1c(C)c(N)c2c(c1C)CC(C)(C)O2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-7-8(2)10-6-13(4,5)15-12(10)11(14)9(7)3;/h6,14H2,1-5H3;1H
InChIKeyHEIYQXMRAHRLQT-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
CID 10488508
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10633526
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
CID 10729182
2-Bromomethyl-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamine
CID 10850590
2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
CID 10726388
2,2,4,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10774087
2,2,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10774088
2,2-dimethyl-6-(trifluoromethyl)-3H-1-benzofuran-7-amine
CID 54274065
2,2,4-Trimethyl-2,3-dihydro-1-benzofuran-7-ylamine
CID 3753347

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride?
The IUPAC name of 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride (CID 19078585) is 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride.
What is the SMILES notation for 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride?
The canonical SMILES for 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride is Cc1c(C)c(N)c2c(c1C)CC(C)(C)O2.Cl.
What is the InChIKey of 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride?
The InChIKey is HEIYQXMRAHRLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-7-8(2)10-6-13(4,5)15-12(10)11(14)9(7)3;/h6,14H2,1-5H3;1H.
What are the key properties of 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride?
2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,6-pentamethyl-3H-1-benzofuran-7-amine;hydrochloride is sourced from PubChem (CID 19078585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).