2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C18H17F3N2O — CID 75365778

IUPAC2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc2[nH]cc(C(CN)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H17F3N2O/c1-24-13-5-6-17-14(8-13)16(10-23-17)15(9-22)11-3-2-4-12(7-11)18(19,20)21/h2-8,10,15,23H,9,22H2,1H3
InChIKeyDRIYETNDXNERDA-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.29
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 75365778) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID75365778
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc2[nH]cc(C(CN)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H17F3N2O/c1-24-13-5-6-17-14(8-13)16(10-23-17)15(9-22)11-3-2-4-12(7-11)18(19,20)21/h2-8,10,15,23H,9,22H2,1H3
InChIKeyDRIYETNDXNERDA-UHFFFAOYSA-N
XLogP4.29
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-methyl-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97135081
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
2-(furan-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 82088975
methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
CID 19796739
2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 70356145
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol
CID 2025636
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239459
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 75365778) is 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is COc1ccc2[nH]cc(C(CN)c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DRIYETNDXNERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-24-13-5-6-17-14(8-13)16(10-23-17)15(9-22)11-3-2-4-12(7-11)18(19,20)21/h2-8,10,15,23H,9,22H2,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 334.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 75365778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).