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

C13H19NO — CID 10035862

IUPAC2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(C)O2
InChIInChI=1S/C13H19NO/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h6,14H2,1-5H3
InChIKeyLMFDBZWAXNOMNH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.91
Rot. Bonds

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

2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (PubChem CID 10035862) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
PubChem CID10035862
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(C)O2
InChIInChI=1S/C13H19NO/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h6,14H2,1-5H3
InChIKeyLMFDBZWAXNOMNH-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-amine
CID 10519978
5-Amino-2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydrobenzofuran
CID 10540798
2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10567186
2,2,4,6,7-pentamethyl-3-(4-pentylphenyl)-3H-1-benzofuran-5-amine
CID 10569970
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-(benzylsulfanylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10639957
2,4,6,7-tetramethyl-2-(morpholin-4-ylmethyl)-3H-1-benzofuran-5-amine
CID 10661194
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (CID 10035862) is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The InChIKey is LMFDBZWAXNOMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h6,14H2,1-5H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine has a molecular weight of 205.30 g/mol, XLogP of 2.91, 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 is sourced from PubChem (CID 10035862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).