2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride

C12H20Cl2N2O — CID 162311849

IUPAC2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride
SMILESCc1c(C)c2c(c(N)c1N)CC(C)(C)O2.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11;;/h5,13-14H2,1-4H3;2*1H
InChIKeyIFYNJOCNXHVZJM-UHFFFAOYSA-N
MW279.21 g/mol
LogP3.02
Rot. Bonds

About 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride

2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride (PubChem CID 162311849) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride.

Molecular Properties

Compound Name2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride
PubChem CID162311849
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride
SMILESCc1c(C)c2c(c(N)c1N)CC(C)(C)O2.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11;;/h5,13-14H2,1-4H3;2*1H
InChIKeyIFYNJOCNXHVZJM-UHFFFAOYSA-N
XLogP3.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,5,7-pentamethyl-3H-1-benzofuran
CID 19047070
3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol
CID 19737784
5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran
CID 69097885
methyl 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonate
CID 118512772
2-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]guanidine
CID 163547697
2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 19078634
ethane;2,2,4,7-tetramethyl-3H-1-benzofuran
CID 177194510
4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine
CID 3434321
7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol
CID 20650278
N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 19078609
phenyl 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonate
CID 11393854
N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10569963

Frequently Asked Questions

What is the IUPAC name of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride?
The IUPAC name of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride (CID 162311849) is 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride.
What is the SMILES notation for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride?
The canonical SMILES for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride is Cc1c(C)c2c(c(N)c1N)CC(C)(C)O2.Cl.Cl.
What is the InChIKey of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride?
The InChIKey is IFYNJOCNXHVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.2ClH/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11;;/h5,13-14H2,1-4H3;2*1H.
What are the key properties of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride?
2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride has a molecular weight of 279.21 g/mol, XLogP of 3.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;dihydrochloride is sourced from PubChem (CID 162311849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).