methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate

C14H18N2O2 — CID 118096526

IUPACmethyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2CCN(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-15(2)8-9-16-7-6-11-10-12(14(17)18-3)4-5-13(11)16/h4-7,10H,8-9H2,1-3H3
InChIKeyUUQLDSHQFBORJK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.99
Rot. Bonds4

About methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate

methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate (PubChem CID 118096526) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
PubChem CID118096526
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2CCN(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-15(2)8-9-16-7-6-11-10-12(14(17)18-3)4-5-13(11)16/h4-7,10H,8-9H2,1-3H3
InChIKeyUUQLDSHQFBORJK-UHFFFAOYSA-N
XLogP1.99
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175926008
CID 175926008
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
CID 90244443
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 1-ethylindole-6-carboxylate
CID 22467242
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 49499379
2-(1-adamantyl)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]acetamide
CID 20660002
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 49499136
methyl 1-[(2-ethoxycarbonylphenyl)methyl]indole-5-carboxylate
CID 142044532
1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
CID 161389830
1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91111671

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate (CID 118096526) is methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate is COC(=O)c1ccc2c(ccn2CCN(C)C)c1.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate?
The InChIKey is UUQLDSHQFBORJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15(2)8-9-16-7-6-11-10-12(14(17)18-3)4-5-13(11)16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate?
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate is sourced from PubChem (CID 118096526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).