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

C13H19NO2 — CID 66760517

IUPAC7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
SMILESCOc1c(C)c(N)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO2/c1-7-9-6-13(3,4)16-12(9)11(15-5)8(2)10(7)14/h6,14H2,1-5H3
InChIKeyBRKVNLWWIWYJTB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds1

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

7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 66760517) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID66760517
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine
SMILESCOc1c(C)c(N)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO2/c1-7-9-6-13(3,4)16-12(9)11(15-5)8(2)10(7)14/h6,14H2,1-5H3
InChIKeyBRKVNLWWIWYJTB-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
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
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
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-(phenylmethoxymethyl)-3H-1-benzofuran-5-amine
CID 10852533
2,2-Dimethyl-7-methoxy-2,3-dihydrobenzo-furan-5-amine
CID 84772789
2,2-Dimethyl-7-propoxy-2,3-dihydrobenzofuran-5-amine
CID 129823766
2,2-Dimethyl-7-ethoxy-2,3-dihydrobenzofuran-5-amine
CID 129823914
2,2-difluoro-4-propan-2-yl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-5-amine
CID 146570509

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine (CID 66760517) is 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine is COc1c(C)c(N)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is BRKVNLWWIWYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-7-9-6-13(3,4)16-12(9)11(15-5)8(2)10(7)14/h6,14H2,1-5H3.
What are the key properties of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine?
7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 221.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 66760517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).