2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid

C15H17F3N2O3 — CID 46214451

IUPAC2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc2[nH]c(CN(C)C)c(CC(=O)O)c2c1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-20(2)7-10-8(6-12(21)22)13-9(19-10)4-5-11(23-3)14(13)15(16,17)18/h4-5,19H,6-7H2,1-3H3,(H,21,22)
InChIKeyFTBASEROADZFKD-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid

2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid (PubChem CID 46214451) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid
PubChem CID46214451
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccc2[nH]c(CN(C)C)c(CC(=O)O)c2c1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-20(2)7-10-8(6-12(21)22)13-9(19-10)4-5-11(23-3)14(13)15(16,17)18/h4-5,19H,6-7H2,1-3H3,(H,21,22)
InChIKeyFTBASEROADZFKD-UHFFFAOYSA-N
XLogP2.88
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid (CID 46214451) is 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid is COc1ccc2[nH]c(CN(C)C)c(CC(=O)O)c2c1C(F)(F)F.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
The InChIKey is FTBASEROADZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-20(2)7-10-8(6-12(21)22)13-9(19-10)4-5-11(23-3)14(13)15(16,17)18/h4-5,19H,6-7H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid?
2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid has a molecular weight of 330.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-5-methoxy-4-(trifluoromethyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 46214451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).