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

C16H23NO2 — CID 107669939

IUPAC[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCCc1cc(OC)c2oc(CN)c(CC(C)C)c2c1
InChIInChI=1S/C16H23NO2/c1-5-11-7-13-12(6-10(2)3)15(9-17)19-16(13)14(8-11)18-4/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyAOCRIGWRSCIEKF-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.66
Rot. Bonds5

About [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (PubChem CID 107669939) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
PubChem CID107669939
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCCc1cc(OC)c2oc(CN)c(CC(C)C)c2c1
InChIInChI=1S/C16H23NO2/c1-5-11-7-13-12(6-10(2)3)15(9-17)19-16(13)14(8-11)18-4/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyAOCRIGWRSCIEKF-UHFFFAOYSA-N
XLogP3.66
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 107669960
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
CID 82372675
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375860
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (CID 107669939) is [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is CCc1cc(OC)c2oc(CN)c(CC(C)C)c2c1.
What is the InChIKey of [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is AOCRIGWRSCIEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-11-7-13-12(6-10(2)3)15(9-17)19-16(13)14(8-11)18-4/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 107669939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).