methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate

C13H20N2O2 — CID 83214267

IUPACmethyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
SMILESCCNC1CCCc2cn(CC(=O)OC)cc21
InChIInChI=1S/C13H20N2O2/c1-3-14-12-6-4-5-10-7-15(8-11(10)12)9-13(16)17-2/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyYPUMQFGZZVJQSA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.65
Rot. Bonds4

About methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate

methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate (PubChem CID 83214267) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
PubChem CID83214267
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
SMILESCCNC1CCCc2cn(CC(=O)OC)cc21
InChIInChI=1S/C13H20N2O2/c1-3-14-12-6-4-5-10-7-15(8-11(10)12)9-13(16)17-2/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyYPUMQFGZZVJQSA-UHFFFAOYSA-N
XLogP1.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83217246
methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate
CID 83213418
butyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214494
2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide
CID 83212167
N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83212097
N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83209842
N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 103035014
methyl 3-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]propanoate
CID 83212592
N-(2-methoxyethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203970
1-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-3-methylbutan-2-ol
CID 114249913
2-[2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]ethoxy]ethanol
CID 83212664
N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203803

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate?
The IUPAC name of methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate (CID 83214267) is methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate is CCNC1CCCc2cn(CC(=O)OC)cc21.
What is the InChIKey of methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate?
The InChIKey is YPUMQFGZZVJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-14-12-6-4-5-10-7-15(8-11(10)12)9-13(16)17-2/h7-8,12,14H,3-6,9H2,1-2H3.
What are the key properties of methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate?
methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate is sourced from PubChem (CID 83214267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).