1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine

C18H19NO2 — CID 43096132

IUPAC1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
SMILESCc1cccc(OCC(N)c2cc3ccccc3o2)c1C
InChIInChI=1S/C18H19NO2/c1-12-6-5-9-16(13(12)2)20-11-15(19)18-10-14-7-3-4-8-17(14)21-18/h3-10,15H,11,19H2,1-2H3
InChIKeyKQDLNYJDBWNCIK-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.13
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine

1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine (PubChem CID 43096132) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
PubChem CID43096132
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
SMILESCc1cccc(OCC(N)c2cc3ccccc3o2)c1C
InChIInChI=1S/C18H19NO2/c1-12-6-5-9-16(13(12)2)20-11-15(19)18-10-14-7-3-4-8-17(14)21-18/h3-10,15H,11,19H2,1-2H3
InChIKeyKQDLNYJDBWNCIK-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

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 43098131
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-(1-benzofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 105184741
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
[1-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
2-(2,3-dimethylphenoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43101312
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine (CID 43096132) is 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine is Cc1cccc(OCC(N)c2cc3ccccc3o2)c1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine?
The InChIKey is KQDLNYJDBWNCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-6-5-9-16(13(12)2)20-11-15(19)18-10-14-7-3-4-8-17(14)21-18/h3-10,15H,11,19H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine?
1-(1-benzofuran-2-yl)-2-(2,3-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-(2,3-dimethylphenoxy)ethanamine is sourced from PubChem (CID 43096132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).