methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate

C14H18N2O2 — CID 102915843

IUPACmethyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
SMILESCCNCc1ccc2c(ccn2CC(=O)OC)c1
InChIInChI=1S/C14H18N2O2/c1-3-15-9-11-4-5-13-12(8-11)6-7-16(13)10-14(17)18-2/h4-8,15H,3,9-10H2,1-2H3
InChIKeyLOKXOUFEOABKEP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds5

About methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate

methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate (PubChem CID 102915843) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
PubChem CID102915843
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
SMILESCCNCc1ccc2c(ccn2CC(=O)OC)c1
InChIInChI=1S/C14H18N2O2/c1-3-15-9-11-4-5-13-12(8-11)6-7-16(13)10-14(17)18-2/h4-8,15H,3,9-10H2,1-2H3
InChIKeyLOKXOUFEOABKEP-UHFFFAOYSA-N
XLogP1.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate (CID 102915843) is methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate is CCNCc1ccc2c(ccn2CC(=O)OC)c1.
What is the InChIKey of methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate?
The InChIKey is LOKXOUFEOABKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-9-11-4-5-13-12(8-11)6-7-16(13)10-14(17)18-2/h4-8,15H,3,9-10H2,1-2H3.
What are the key properties of methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate?
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate has a molecular weight of 246.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate is sourced from PubChem (CID 102915843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).