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

C14H23ClN2O — CID 19078610

IUPAC6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride
SMILESCc1c(N)c(N(C)C)c(C)c2c1CC(C)(C)O2.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-8-10-7-14(3,4)17-13(10)9(2)12(11(8)15)16(5)6;/h7,15H2,1-6H3;1H
InChIKeyZTMBHJFPZHIEQX-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.09
Rot. Bonds1

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

6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride (PubChem CID 19078610) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride
PubChem CID19078610
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride
SMILESCc1c(N)c(N(C)C)c(C)c2c1CC(C)(C)O2.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-8-10-7-14(3,4)17-13(10)9(2)12(11(8)15)16(5)6;/h7,15H2,1-6H3;1H
InChIKeyZTMBHJFPZHIEQX-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
CID 10488508
4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
CID 10633481
2,4,6,7-tetramethyl-2-[(4-methylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
CID 10494677
2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine
CID 10566307
N,2,2,4,6,7-hexamethyl-3H-1-benzofuran-5-amine
CID 10704113
N-ethyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 10728357
5-Formylamino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10752118
2,2,6,7-tetramethyl-4-nitro-3H-1-benzofuran-5-amine
CID 10752288
7-[(dimethylamino)methyl]-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
CID 10753096
2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
CID 10755817
2,2,4,6,7-pentamethyl-N-propyl-3H-1-benzofuran-5-amine
CID 10800533
2-[2-(dimethylamino)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10801469

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride?
The IUPAC name of 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride (CID 19078610) is 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride.
What is the SMILES notation for 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride?
The canonical SMILES for 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride is Cc1c(N)c(N(C)C)c(C)c2c1CC(C)(C)O2.Cl.
What is the InChIKey of 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride?
The InChIKey is ZTMBHJFPZHIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-8-10-7-14(3,4)17-13(10)9(2)12(11(8)15)16(5)6;/h7,15H2,1-6H3;1H.
What are the key properties of 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride?
6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,2,2,4,7-hexamethyl-3H-1-benzofuran-5,6-diamine;hydrochloride is sourced from PubChem (CID 19078610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).