[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

C14H19NO2 — CID 114375077

IUPAC[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCOc1cccc2c(CC(C)C)c(CN)oc12
InChIInChI=1S/C14H19NO2/c1-9(2)7-11-10-5-4-6-12(16-3)14(10)17-13(11)8-15/h4-6,9H,7-8,15H2,1-3H3
InChIKeyPDRSGJDCMZYTQU-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.10
Rot. Bonds4

About [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (PubChem CID 114375077) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
PubChem CID114375077
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCOc1cccc2c(CC(C)C)c(CN)oc12
InChIInChI=1S/C14H19NO2/c1-9(2)7-11-10-5-4-6-12(16-3)14(10)17-13(11)8-15/h4-6,9H,7-8,15H2,1-3H3
InChIKeyPDRSGJDCMZYTQU-UHFFFAOYSA-N
XLogP3.10
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
6-methoxydibenzofuran-4-thiol
CID 23254072
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376971
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
CID 82372675
(2-ethenyl-7-methoxy-1-benzofuran-3-yl)methyl-trimethylsilane
CID 177454044
(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (CID 114375077) is [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is COc1cccc2c(CC(C)C)c(CN)oc12.
What is the InChIKey of [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is PDRSGJDCMZYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)7-11-10-5-4-6-12(16-3)14(10)17-13(11)8-15/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114375077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).