methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate

C15H20N2O3 — CID 102916342

IUPACmethyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
SMILESCOCCNCc1ccc2c(ccn2CC(=O)OC)c1
InChIInChI=1S/C15H20N2O3/c1-19-8-6-16-10-12-3-4-14-13(9-12)5-7-17(14)11-15(18)20-2/h3-5,7,9,16H,6,8,10-11H2,1-2H3
InChIKeyBNJPUMPDGGLLSG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds7

About methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate

methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate (PubChem CID 102916342) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
PubChem CID102916342
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
SMILESCOCCNCc1ccc2c(ccn2CC(=O)OC)c1
InChIInChI=1S/C15H20N2O3/c1-19-8-6-16-10-12-3-4-14-13(9-12)5-7-17(14)11-15(18)20-2/h3-5,7,9,16H,6,8,10-11H2,1-2H3
InChIKeyBNJPUMPDGGLLSG-UHFFFAOYSA-N
XLogP1.55
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102917022
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate (CID 102916342) is methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate is COCCNCc1ccc2c(ccn2CC(=O)OC)c1.
What is the InChIKey of methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate?
The InChIKey is BNJPUMPDGGLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-8-6-16-10-12-3-4-14-13(9-12)5-7-17(14)11-15(18)20-2/h3-5,7,9,16H,6,8,10-11H2,1-2H3.
What are the key properties of methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate?
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate is sourced from PubChem (CID 102916342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).