1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine

C18H19NO2 — CID 43098131

IUPAC1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
SMILESCc1ccc(C)c(OCC(N)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H19NO2/c1-12-7-8-13(2)17(9-12)20-11-15(19)18-10-14-5-3-4-6-16(14)21-18/h3-10,15H,11,19H2,1-2H3
InChIKeyVVEHZJBCSHUDRW-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.13
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine

1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine (PubChem CID 43098131) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
PubChem CID43098131
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
SMILESCc1ccc(C)c(OCC(N)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H19NO2/c1-12-7-8-13(2)17(9-12)20-11-15(19)18-10-14-5-3-4-6-16(14)21-18/h3-10,15H,11,19H2,1-2H3
InChIKeyVVEHZJBCSHUDRW-UHFFFAOYSA-N
XLogP4.13
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine 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

1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 43096132
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
CID 64658863
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 16787877
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine (CID 43098131) is 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine is Cc1ccc(C)c(OCC(N)c2cc3ccccc3o2)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine?
The InChIKey is VVEHZJBCSHUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-8-13(2)17(9-12)20-11-15(19)18-10-14-5-3-4-6-16(14)21-18/h3-10,15H,11,19H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine?
1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine is sourced from PubChem (CID 43098131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).