methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate

C15H20N2O2 — CID 83948475

IUPACmethyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(CCN)c2ccc(C)cc12
InChIInChI=1S/C15H20N2O2/c1-10-4-5-14-13(8-10)12(9-15(18)19-3)11(2)17(14)7-6-16/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyYVRVHQQKUSNZBP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate

methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate (PubChem CID 83948475) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate
PubChem CID83948475
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(CCN)c2ccc(C)cc12
InChIInChI=1S/C15H20N2O2/c1-10-4-5-14-13(8-10)12(9-15(18)19-3)11(2)17(14)7-6-16/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyYVRVHQQKUSNZBP-UHFFFAOYSA-N
XLogP1.93
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate (CID 83948475) is methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate is COC(=O)Cc1c(C)n(CCN)c2ccc(C)cc12.
What is the InChIKey of methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate?
The InChIKey is YVRVHQQKUSNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-4-5-14-13(8-10)12(9-15(18)19-3)11(2)17(14)7-6-16/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate?
methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate has a molecular weight of 260.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate is sourced from PubChem (CID 83948475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).