2-(1-benzofuran-5-yl)-N-methylethanamine

C22H26N2O2 — CID 168924293

IUPAC2-(1-benzofuran-5-yl)-N-methylethanamine
SMILESCNCCc1ccc2occc2c1.CNCCc1ccc2occc2c1
InChIInChI=1S/2C11H13NO/c2*1-12-6-4-9-2-3-11-10(8-9)5-7-13-11/h2*2-3,5,7-8,12H,4,6H2,1H3
InChIKeyFGMVHQXLPCOSKV-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.39
Rot. Bonds6

About 2-(1-benzofuran-5-yl)-N-methylethanamine

2-(1-benzofuran-5-yl)-N-methylethanamine (PubChem CID 168924293) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-N-methylethanamine
PubChem CID168924293
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(1-benzofuran-5-yl)-N-methylethanamine
SMILESCNCCc1ccc2occc2c1.CNCCc1ccc2occc2c1
InChIInChI=1S/2C11H13NO/c2*1-12-6-4-9-2-3-11-10(8-9)5-7-13-11/h2*2-3,5,7-8,12H,4,6H2,1H3
InChIKeyFGMVHQXLPCOSKV-UHFFFAOYSA-N
XLogP4.39
TPSA50.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-5-yl)butan-2-one
CID 70511812
1,7-bis(1-benzofuran-5-yl)heptane-3,5-dione
CID 58234278
2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
CID 83900820
1-benzofuran-5-ylmethanamine
CID 2795182
5-(chloromethyl)-1-benzofuran
CID 54069342
4-(1-benzofuran-5-yl)-N-methylbut-3-yn-1-amine
CID 170464433
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
(2S)-1-(1-benzofuran-5-yl)butan-2-amine
CID 168924100
2-[3-[2-(1-benzofuran-5-yl)ethoxy]propylamino]ethanol
CID 139922988
5-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-1-benzofuran
CID 134907407
2-(1-benzofuran-5-yl)-N-tert-butylsulfanyl-N-methylethanamine;ethane
CID 168924261
(2S)-2-amino-4-(1-benzofuran-5-yl)butanoic acid
CID 168737389

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(1-benzofuran-5-yl)-N-methylethanamine (CID 168924293) is 2-(1-benzofuran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-N-methylethanamine is CNCCc1ccc2occc2c1.CNCCc1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-N-methylethanamine?
The InChIKey is FGMVHQXLPCOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13NO/c2*1-12-6-4-9-2-3-11-10(8-9)5-7-13-11/h2*2-3,5,7-8,12H,4,6H2,1H3.
What are the key properties of 2-(1-benzofuran-5-yl)-N-methylethanamine?
2-(1-benzofuran-5-yl)-N-methylethanamine has a molecular weight of 350.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-N-methylethanamine is sourced from PubChem (CID 168924293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).