[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine

C11H11F3N2O — CID 83678476

IUPAC[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
SMILESCOc1ccc2c(CN)c(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H11F3N2O/c1-17-6-2-3-7-8(5-15)10(11(12,13)14)16-9(7)4-6/h2-4,16H,5,15H2,1H3
InChIKeyYFCATRWDASKJPU-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.65
Rot. Bonds2

About [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine

[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine (PubChem CID 83678476) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
PubChem CID83678476
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
SMILESCOc1ccc2c(CN)c(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H11F3N2O/c1-17-6-2-3-7-8(5-15)10(11(12,13)14)16-9(7)4-6/h2-4,16H,5,15H2,1H3
InChIKeyYFCATRWDASKJPU-UHFFFAOYSA-N
XLogP2.65
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649
[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 84643873
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
(E)-3-[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
CID 134139930
2-[6-bromo-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylethanamine
CID 84645826
1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
CID 84632135
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 174892182
1-(6-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740972
6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine
CID 170958883

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
The IUPAC name of [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine (CID 83678476) is [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine.
What is the SMILES notation for [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
The canonical SMILES for [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine is COc1ccc2c(CN)c(C(F)(F)F)[nH]c2c1.
What is the InChIKey of [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
The InChIKey is YFCATRWDASKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-17-6-2-3-7-8(5-15)10(11(12,13)14)16-9(7)4-6/h2-4,16H,5,15H2,1H3.
What are the key properties of [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine?
[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine has a molecular weight of 244.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine is sourced from PubChem (CID 83678476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).