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

C13H20ClNO — CID 10220422

IUPAC2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(C)O2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12;/h6,14H2,1-5H3;1H
InChIKeySNVASTXKSSIPBZ-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.33
Rot. Bonds

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

2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride (PubChem CID 10220422) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride
PubChem CID10220422
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(C)O2.Cl
InChIInChI=1S/C13H19NO.ClH/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12;/h6,14H2,1-5H3;1H
InChIKeySNVASTXKSSIPBZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride?
The IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride (CID 10220422) is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride is Cc1c(C)c2c(c(C)c1N)CC(C)(C)O2.Cl.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride?
The InChIKey is SNVASTXKSSIPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12;/h6,14H2,1-5H3;1H.
What are the key properties of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride?
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-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 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine;hydrochloride is sourced from PubChem (CID 10220422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).