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

C15H19FN2O3 — CID 58443435

IUPACmethyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c(CN(C)C)[nH]c2ccc(OC)c(F)c12
InChIInChI=1S/C15H19FN2O3/c1-18(2)8-11-9(7-13(19)21-4)14-10(17-11)5-6-12(20-3)15(14)16/h5-6,17H,7-8H2,1-4H3
InChIKeyXSOUACWFMOAZQA-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.09
Rot. Bonds5

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

methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate (PubChem CID 58443435) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate
PubChem CID58443435
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c(CN(C)C)[nH]c2ccc(OC)c(F)c12
InChIInChI=1S/C15H19FN2O3/c1-18(2)8-11-9(7-13(19)21-4)14-10(17-11)5-6-12(20-3)15(14)16/h5-6,17H,7-8H2,1-4H3
InChIKeyXSOUACWFMOAZQA-UHFFFAOYSA-N
XLogP2.09
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,1-difluoroethyl)-2-[(dimethylamino)methyl]-5-methoxy-1H-indol-3-yl]acetic acid
CID 90927445
methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
CID 46216285
methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
CID 131850530
(2,3,4,5,6-pentafluorophenyl) 2-(4-fluoro-5-methoxy-1H-indol-3-yl)acetate
CID 172506108
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776097
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate
CID 46214115
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
CID 113453832

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate (CID 58443435) is methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate is COC(=O)Cc1c(CN(C)C)[nH]c2ccc(OC)c(F)c12.
What is the InChIKey of methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate?
The InChIKey is XSOUACWFMOAZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-18(2)8-11-9(7-13(19)21-4)14-10(17-11)5-6-12(20-3)15(14)16/h5-6,17H,7-8H2,1-4H3.
What are the key properties of methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate?
methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate has a molecular weight of 294.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate is sourced from PubChem (CID 58443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).