2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine

C14H17F3N2 — CID 117196600

IUPAC2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
SMILESCCn1c(CCNC)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H17F3N2/c1-3-19-11(7-8-18-2)9-10-5-4-6-12(13(10)19)14(15,16)17/h4-6,9,18H,3,7-8H2,1-2H3
InChIKeyADQQUJZQXGPHJJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.44
Rot. Bonds4

About 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine

2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine (PubChem CID 117196600) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
PubChem CID117196600
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
SMILESCCn1c(CCNC)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H17F3N2/c1-3-19-11(7-8-18-2)9-10-5-4-6-12(13(10)19)14(15,16)17/h4-6,9,18H,3,7-8H2,1-2H3
InChIKeyADQQUJZQXGPHJJ-UHFFFAOYSA-N
XLogP3.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
CID 117196602
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
CID 117196587
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
1-methyl-2-[2-(methylamino)ethyl]indol-7-ol
CID 117197124
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
1-ethyl-6-[2-(methylamino)ethyl]pyridin-2-one
CID 105438968
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
N-methyl-2-(1,6,7-trimethylindol-2-yl)ethanamine
CID 84622439
N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine
CID 115107092
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine (CID 117196600) is 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine is CCn1c(CCNC)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine?
The InChIKey is ADQQUJZQXGPHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-3-19-11(7-8-18-2)9-10-5-4-6-12(13(10)19)14(15,16)17/h4-6,9,18H,3,7-8H2,1-2H3.
What are the key properties of 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine?
2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine has a molecular weight of 270.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine is sourced from PubChem (CID 117196600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).