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

C14H22N2O — CID 10633481

IUPAC4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
SMILESCc1c(C)c2c(c(N(C)C)c1N)CC(C)(C)O2
InChIInChI=1S/C14H22N2O/c1-8-9(2)13-10(7-14(3,4)17-13)12(11(8)15)16(5)6/h7,15H2,1-6H3
InChIKeyDAFFWJGDHUECTN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds1

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

4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine (PubChem CID 10633481) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
PubChem CID10633481
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
SMILESCc1c(C)c2c(c(N(C)C)c1N)CC(C)(C)O2
InChIInChI=1S/C14H22N2O/c1-8-9(2)13-10(7-14(3,4)17-13)12(11(8)15)16(5)6/h7,15H2,1-6H3
InChIKeyDAFFWJGDHUECTN-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
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

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
2,4,6,7-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 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine?
The IUPAC name of 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine (CID 10633481) is 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine.
What is the SMILES notation for 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine?
The canonical SMILES for 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine is Cc1c(C)c2c(c(N(C)C)c1N)CC(C)(C)O2.
What is the InChIKey of 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine?
The InChIKey is DAFFWJGDHUECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-8-9(2)13-10(7-14(3,4)17-13)12(11(8)15)16(5)6/h7,15H2,1-6H3.
What are the key properties of 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine?
4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine is sourced from PubChem (CID 10633481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).