ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate

C16H20N2O2 — CID 102916947

IUPACethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2ccc(CNC3CC3)cc21
InChIInChI=1S/C16H20N2O2/c1-2-20-16(19)11-18-8-7-13-4-3-12(9-15(13)18)10-17-14-5-6-14/h3-4,7-9,14,17H,2,5-6,10-11H2,1H3
InChIKeyBEJUZASBYVHXOA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.46
Rot. Bonds6

About ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate

ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate (PubChem CID 102916947) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
PubChem CID102916947
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2ccc(CNC3CC3)cc21
InChIInChI=1S/C16H20N2O2/c1-2-20-16(19)11-18-8-7-13-4-3-12(9-15(13)18)10-17-14-5-6-14/h3-4,7-9,14,17H,2,5-6,10-11H2,1H3
InChIKeyBEJUZASBYVHXOA-UHFFFAOYSA-N
XLogP2.46
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
CID 102916232
N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 102916924
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 63046576
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
[4-(ethylcarbamoylamino)cyclohexyl] 2-(6-chloroindol-1-yl)acetate
CID 47591460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate (CID 102916947) is ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate is CCOC(=O)Cn1ccc2ccc(CNC3CC3)cc21.
What is the InChIKey of ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate?
The InChIKey is BEJUZASBYVHXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-16(19)11-18-8-7-13-4-3-12(9-15(13)18)10-17-14-5-6-14/h3-4,7-9,14,17H,2,5-6,10-11H2,1H3.
What are the key properties of ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate?
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate has a molecular weight of 272.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate is sourced from PubChem (CID 102916947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).