(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine

C16H23NO2 — CID 107669974

IUPAC(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCCc1cc(OC)c2oc(CN)c(C(C)(C)C)c2c1
InChIInChI=1S/C16H23NO2/c1-6-10-7-11-14(16(2,3)4)13(9-17)19-15(11)12(8-10)18-5/h7-8H,6,9,17H2,1-5H3
InChIKeyMINXBXUIMLBWGO-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.76
Rot. Bonds3

About (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine

(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 107669974) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID107669974
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCCc1cc(OC)c2oc(CN)c(C(C)(C)C)c2c1
InChIInChI=1S/C16H23NO2/c1-6-10-7-11-14(16(2,3)4)13(9-17)19-15(11)12(8-10)18-5/h7-8H,6,9,17H2,1-5H3
InChIKeyMINXBXUIMLBWGO-UHFFFAOYSA-N
XLogP3.76
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 107669960
(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 107669955
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
(3-tert-butyl-7-chloro-5-methyl-1-benzofuran-2-yl)methanamine
CID 114377217
(4,7-dibromo-3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 114377505
(3-tert-butyl-5-chloro-7-methyl-1-benzofuran-2-yl)methanamine
CID 55068825
(7-bromo-3-tert-butyl-5-chloro-1-benzofuran-2-yl)methanamine
CID 55196950
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 114375278
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
CID 82372675

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine (CID 107669974) is (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine is CCc1cc(OC)c2oc(CN)c(C(C)(C)C)c2c1.
What is the InChIKey of (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is MINXBXUIMLBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-10-7-11-14(16(2,3)4)13(9-17)19-15(11)12(8-10)18-5/h7-8H,6,9,17H2,1-5H3.
What are the key properties of (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine?
(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 261.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107669974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).