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

C12H19ClN2O — CID 19078594

IUPAC2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride
SMILESCc1c(C)c2c(c(N)c1N)CC(C)(C)O2.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11;/h5,13-14H2,1-4H3;1H
InChIKeyYDJDPEUFHPCWIF-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.60
Rot. Bonds

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

2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride (PubChem CID 19078594) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride
PubChem CID19078594
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride
SMILESCc1c(C)c2c(c(N)c1N)CC(C)(C)O2.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11;/h5,13-14H2,1-4H3;1H
InChIKeyYDJDPEUFHPCWIF-UHFFFAOYSA-N
XLogP2.60
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.60
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

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
2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine
CID 10612725
4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
CID 10633481
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
2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine
CID 10566307
2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
CID 10726388
2,2,6,7-tetramethyl-4-nitro-3H-1-benzofuran-5-amine
CID 10752288

Frequently Asked Questions

What is the IUPAC name of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride?
The IUPAC name of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride (CID 19078594) is 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride.
What is the SMILES notation for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride?
The canonical SMILES for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride is Cc1c(C)c2c(c(N)c1N)CC(C)(C)O2.Cl.
What is the InChIKey of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride?
The InChIKey is YDJDPEUFHPCWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11;/h5,13-14H2,1-4H3;1H.
What are the key properties of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride?
2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.60, 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;hydrochloride is sourced from PubChem (CID 19078594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).