ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate

C15H20N2O3 — CID 70508513

IUPACethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(C)N)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H20N2O3/c1-4-20-14(18)8-12-11-7-10(19-3)5-6-13(11)17-15(12)9(2)16/h5-7,9,17H,4,8,16H2,1-3H3
InChIKeyZTGIOXXPHUMNGV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate

ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate (PubChem CID 70508513) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
PubChem CID70508513
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(C)N)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H20N2O3/c1-4-20-14(18)8-12-11-7-10(19-3)5-6-13(11)17-15(12)9(2)16/h5-7,9,17H,4,8,16H2,1-3H3
InChIKeyZTGIOXXPHUMNGV-UHFFFAOYSA-N
XLogP2.30
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
ethyl 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 118868692
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
diethyl 2-[(1S)-1-(5-methoxy-3-methyl-1H-indol-2-yl)-2-oxo-2-phenylethyl]propanedioate
CID 135033110
ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 10759813
3-(5-methoxy-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 84632755
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate (CID 70508513) is ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate is CCOC(=O)Cc1c(C(C)N)[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate?
The InChIKey is ZTGIOXXPHUMNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-20-14(18)8-12-11-7-10(19-3)5-6-13(11)17-15(12)9(2)16/h5-7,9,17H,4,8,16H2,1-3H3.
What are the key properties of ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate?
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate is sourced from PubChem (CID 70508513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).