N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine

C13H15F3N2O — CID 166116644

IUPACN,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C13H15F3N2O/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)19-13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyODQYGFDOWUZNBA-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.17
Rot. Bonds4

About N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine (PubChem CID 166116644) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
PubChem CID166116644
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C13H15F3N2O/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)19-13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyODQYGFDOWUZNBA-UHFFFAOYSA-N
XLogP3.17
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine (CID 166116644) is N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
The InChIKey is ODQYGFDOWUZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)19-13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine has a molecular weight of 272.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 166116644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).