methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate

C20H22N2O3 — CID 170703946

IUPACmethyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
SMILESCNCc1cccc(OCCn2ccc3ccc(C(=O)OC)cc32)c1
InChIInChI=1S/C20H22N2O3/c1-21-14-15-4-3-5-18(12-15)25-11-10-22-9-8-16-6-7-17(13-19(16)22)20(23)24-2/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeySUNJOPUZUVINTI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.23
Rot. Bonds7

About methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate

methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate (PubChem CID 170703946) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
PubChem CID170703946
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
SMILESCNCc1cccc(OCCn2ccc3ccc(C(=O)OC)cc32)c1
InChIInChI=1S/C20H22N2O3/c1-21-14-15-4-3-5-18(12-15)25-11-10-22-9-8-16-6-7-17(13-19(16)22)20(23)24-2/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeySUNJOPUZUVINTI-UHFFFAOYSA-N
XLogP3.23
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]indole-6-carboxylate;methyl 1-[2-(3-formylphenoxy)ethyl]indole-6-carboxylate;N-methylmethanamine
CID 158788090
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010
methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
CID 4985597
methyl 4-[[3-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60883533
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
CID 170703879
methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
CID 69453700
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62440640
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate?
The IUPAC name of methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate (CID 170703946) is methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate?
The canonical SMILES for methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate is CNCc1cccc(OCCn2ccc3ccc(C(=O)OC)cc32)c1.
What is the InChIKey of methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate?
The InChIKey is SUNJOPUZUVINTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-14-15-4-3-5-18(12-15)25-11-10-22-9-8-16-6-7-17(13-19(16)22)20(23)24-2/h3-9,12-13,21H,10-11,14H2,1-2H3.
What are the key properties of methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate?
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate is sourced from PubChem (CID 170703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).