2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine

C17H25NO2 — CID 62451511

IUPAC2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCCOCc1c(CNC(C)(C)C)oc2ccccc12
InChIInChI=1S/C17H25NO2/c1-5-10-19-12-14-13-8-6-7-9-15(13)20-16(14)11-18-17(2,3)4/h6-9,18H,5,10-12H2,1-4H3
InChIKeyQSAGUCMERSVKJA-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.25
Rot. Bonds6

About 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine

2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 62451511) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID62451511
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCCOCc1c(CNC(C)(C)C)oc2ccccc12
InChIInChI=1S/C17H25NO2/c1-5-10-19-12-14-13-8-6-7-9-15(13)20-16(14)11-18-17(2,3)4/h6-9,18H,5,10-12H2,1-4H3
InChIKeyQSAGUCMERSVKJA-UHFFFAOYSA-N
XLogP4.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62438293
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[[3-(pentoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62449900
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485822
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 62451511) is 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is CCCOCc1c(CNC(C)(C)C)oc2ccccc12.
What is the InChIKey of 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is QSAGUCMERSVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-10-19-12-14-13-8-6-7-9-15(13)20-16(14)11-18-17(2,3)4/h6-9,18H,5,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62451511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).