methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate

C15H18N2O4 — CID 83948430

IUPACmethyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
SMILESCOC(=O)Cc1cn(CCN)c2cc3c(cc12)OCCO3
InChIInChI=1S/C15H18N2O4/c1-19-15(18)6-10-9-17(3-2-16)12-8-14-13(7-11(10)12)20-4-5-21-14/h7-9H,2-6,16H2,1H3
InChIKeySELLUWSZUBPJCV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.09
Rot. Bonds4

About methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate

methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate (PubChem CID 83948430) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
PubChem CID83948430
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
SMILESCOC(=O)Cc1cn(CCN)c2cc3c(cc12)OCCO3
InChIInChI=1S/C15H18N2O4/c1-19-15(18)6-10-9-17(3-2-16)12-8-14-13(7-11(10)12)20-4-5-21-14/h7-9H,2-6,16H2,1H3
InChIKeySELLUWSZUBPJCV-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 83948412
2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
CID 83944642
2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944375
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947489
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
6-butyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947501
methyl 4-(5-ethyl-[1,3]dioxolo[4,5-f]indol-7-yl)-2,4-dioxobutanoate
CID 11347659
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate?
The IUPAC name of methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate (CID 83948430) is methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate.
What is the SMILES notation for methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate?
The canonical SMILES for methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate is COC(=O)Cc1cn(CCN)c2cc3c(cc12)OCCO3.
What is the InChIKey of methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate?
The InChIKey is SELLUWSZUBPJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-15(18)6-10-9-17(3-2-16)12-8-14-13(7-11(10)12)20-4-5-21-14/h7-9H,2-6,16H2,1H3.
What are the key properties of methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate?
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate has a molecular weight of 290.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate is sourced from PubChem (CID 83948430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).