2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine

C15H16F6N2O — CID 172624963

IUPAC2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
SMILESCOc1ccc2[nH]cc(CCN(CC(F)(F)F)CC(F)(F)F)c2c1
InChIInChI=1S/C15H16F6N2O/c1-24-11-2-3-13-12(6-11)10(7-22-13)4-5-23(8-14(16,17)18)9-15(19,20)21/h2-3,6-7,22H,4-5,8-9H2,1H3
InChIKeyGKLVNOJESOYIBD-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.15
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine

2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine (PubChem CID 172624963) has the molecular formula C15H16F6N2O and a molecular weight of 354.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
PubChem CID172624963
Molecular FormulaC15H16F6N2O
Molecular Weight354.29 g/mol
Exact Mass354.12
IUPAC Name2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
SMILESCOc1ccc2[nH]cc(CCN(CC(F)(F)F)CC(F)(F)F)c2c1
InChIInChI=1S/C15H16F6N2O/c1-24-11-2-3-13-12(6-11)10(7-22-13)4-5-23(8-14(16,17)18)9-15(19,20)21/h2-3,6-7,22H,4-5,8-9H2,1H3
InChIKeyGKLVNOJESOYIBD-UHFFFAOYSA-N
XLogP4.15
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine with MolForge

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Related Compounds

5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine (CID 172624963) is 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine is COc1ccc2[nH]cc(CCN(CC(F)(F)F)CC(F)(F)F)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine?
The InChIKey is GKLVNOJESOYIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O/c1-24-11-2-3-13-12(6-11)10(7-22-13)4-5-23(8-14(16,17)18)9-15(19,20)21/h2-3,6-7,22H,4-5,8-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine?
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine has a molecular weight of 354.29 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine is sourced from PubChem (CID 172624963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).