methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate

C18H23F3N2O3 — CID 46214115

IUPACmethyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C(F)(F)F)c12
InChIInChI=1S/C18H23F3N2O3/c1-11-12(10-15(24)26-5)16-13(23(11)9-8-22(2)3)6-7-14(25-4)17(16)18(19,20)21/h6-7H,8-10H2,1-5H3
InChIKeyIJEYLFQIXOLBNL-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.25
Rot. Bonds6

About methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate

methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate (PubChem CID 46214115) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate
PubChem CID46214115
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Namemethyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C(F)(F)F)c12
InChIInChI=1S/C18H23F3N2O3/c1-11-12(10-15(24)26-5)16-13(23(11)9-8-22(2)3)6-7-14(25-4)17(16)18(19,20)21/h6-7H,8-10H2,1-5H3
InChIKeyIJEYLFQIXOLBNL-UHFFFAOYSA-N
XLogP3.25
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate;hydrochloride
CID 146065611
2-[6-cyano-1-[2-(dimethylamino)ethyl]-3-(2-methoxy-2-oxoethyl)-2-methylindol-5-yl]oxyethyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 91328052
2-(5-acetyloxy-6-fluoro-1,2-dimethylindol-3-yl)acetic acid;methyl 2-(5-acetyloxy-4-fluoro-1,2-dimethylindol-3-yl)acetate;methyl 2-[5-acetyloxy-2-methyl-4-(trifluoromethyl)-1H-indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetate
CID 158947064
N,N-dihydroxy-1-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]methanamine
CID 162587301
methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
CID 23039198
2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid
CID 19696994
methyl 2-[6-chloro-3-fluoro-2-(trifluoromethyl)phenyl]acetate
CID 171030086
methyl 2-[1-(2-aminoethyl)-2,5-dimethylindol-3-yl]acetate
CID 83948475
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate
CID 58443435
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate (CID 46214115) is methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate is COC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C(F)(F)F)c12.
What is the InChIKey of methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate?
The InChIKey is IJEYLFQIXOLBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-11-12(10-15(24)26-5)16-13(23(11)9-8-22(2)3)6-7-14(25-4)17(16)18(19,20)21/h6-7H,8-10H2,1-5H3.
What are the key properties of methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate?
methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate has a molecular weight of 372.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate is sourced from PubChem (CID 46214115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).