2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine

C18H17F3N2O — CID 170887839

IUPAC2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine
SMILESCn1c(Oc2cccc(C(F)(F)F)c2)c(CCN)c2ccccc21
InChIInChI=1S/C18H17F3N2O/c1-23-16-8-3-2-7-14(16)15(9-10-22)17(23)24-13-6-4-5-12(11-13)18(19,20)21/h2-8,11H,9-10,22H2,1H3
InChIKeyCYUDOBUGIFEPPZ-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.49
Rot. Bonds4

About 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine

2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine (PubChem CID 170887839) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine
PubChem CID170887839
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine
SMILESCn1c(Oc2cccc(C(F)(F)F)c2)c(CCN)c2ccccc21
InChIInChI=1S/C18H17F3N2O/c1-23-16-8-3-2-7-14(16)15(9-10-22)17(23)24-13-6-4-5-12(11-13)18(19,20)21/h2-8,11H,9-10,22H2,1H3
InChIKeyCYUDOBUGIFEPPZ-UHFFFAOYSA-N
XLogP4.49
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
4-[(2,6-dichlorophenyl)sulfanylmethyl]-1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole
CID 3427069
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
CID 170871680
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868356
2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde
CID 150305431

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine (CID 170887839) is 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine is Cn1c(Oc2cccc(C(F)(F)F)c2)c(CCN)c2ccccc21.
What is the InChIKey of 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine?
The InChIKey is CYUDOBUGIFEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-23-16-8-3-2-7-14(16)15(9-10-22)17(23)24-13-6-4-5-12(11-13)18(19,20)21/h2-8,11H,9-10,22H2,1H3.
What are the key properties of 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine?
2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine has a molecular weight of 334.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine is sourced from PubChem (CID 170887839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).