7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine

C14H19NO2 — CID 82372675

IUPAC7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
SMILESCOc1cc(C)cc2c(N)c(CC(C)C)oc12
InChIInChI=1S/C14H19NO2/c1-8(2)5-11-13(15)10-6-9(3)7-12(16-4)14(10)17-11/h6-8H,5,15H2,1-4H3
InChIKeyKZNRJDOROSCYMK-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.53
Rot. Bonds3

About 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine

7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine (PubChem CID 82372675) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
PubChem CID82372675
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
SMILESCOc1cc(C)cc2c(N)c(CC(C)C)oc12
InChIInChI=1S/C14H19NO2/c1-8(2)5-11-13(15)10-6-9(3)7-12(16-4)14(10)17-11/h6-8H,5,15H2,1-4H3
InChIKeyKZNRJDOROSCYMK-UHFFFAOYSA-N
XLogP3.53
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375018
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 81035438
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
CID 54595179
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
CID 847725
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974
(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 107669955
2,3-dimethoxy-5-methylaniline
CID 14263216
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
3-methoxy-5-methyl-2-(2-methylpropyl)pyridine
CID 91230939

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine?
The IUPAC name of 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine (CID 82372675) is 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine.
What is the SMILES notation for 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine?
The canonical SMILES for 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine is COc1cc(C)cc2c(N)c(CC(C)C)oc12.
What is the InChIKey of 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine?
The InChIKey is KZNRJDOROSCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8(2)5-11-13(15)10-6-9(3)7-12(16-4)14(10)17-11/h6-8H,5,15H2,1-4H3.
What are the key properties of 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine?
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine has a molecular weight of 233.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine is sourced from PubChem (CID 82372675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).