ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate

C16H20N2O2 — CID 102914953

IUPACethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C16H20N2O2/c1-2-20-15(19)11-18-9-8-12-4-3-5-13(16(12)18)10-17-14-6-7-14/h3-5,8-9,14,17H,2,6-7,10-11H2,1H3
InChIKeyUACZXKRKNTYXNP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.46
Rot. Bonds6

About ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate

ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate (PubChem CID 102914953) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
PubChem CID102914953
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C16H20N2O2/c1-2-20-15(19)11-18-9-8-12-4-3-5-13(16(12)18)10-17-14-6-7-14/h3-5,8-9,14,17H,2,6-7,10-11H2,1H3
InChIKeyUACZXKRKNTYXNP-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-[(tert-butylamino)methyl]indol-1-yl]acetate
CID 102915277
3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102914922
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102916947
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
CID 102914739
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
CID 102914869
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
CID 79444404
methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321
N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide
CID 116618964

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate (CID 102914953) is ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate is CCOC(=O)Cn1ccc2cccc(CNC3CC3)c21.
What is the InChIKey of ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate?
The InChIKey is UACZXKRKNTYXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-15(19)11-18-9-8-12-4-3-5-13(16(12)18)10-17-14-6-7-14/h3-5,8-9,14,17H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate?
ethyl 2-[7-[(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-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate is sourced from PubChem (CID 102914953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).