[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine

C12H13F3N2O — CID 125479327

IUPAC[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
SMILESCc1c(CN)c2cc(OC(F)(F)F)ccc2n1C
InChIInChI=1S/C12H13F3N2O/c1-7-10(6-16)9-5-8(18-12(13,14)15)3-4-11(9)17(7)2/h3-5H,6,16H2,1-2H3
InChIKeyREYRZIJVDIITMS-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.84
Rot. Bonds2

About [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine

[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine (PubChem CID 125479327) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
PubChem CID125479327
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
SMILESCc1c(CN)c2cc(OC(F)(F)F)ccc2n1C
InChIInChI=1S/C12H13F3N2O/c1-7-10(6-16)9-5-8(18-12(13,14)15)3-4-11(9)17(7)2/h3-5H,6,16H2,1-2H3
InChIKeyREYRZIJVDIITMS-UHFFFAOYSA-N
XLogP2.84
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
CID 78018818
3-[3-[[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenyl]-2-ethoxypropanoic acid
CID 71165173
5-methyl-2-(trifluoromethoxy)phenanthridin-6-one
CID 138967804
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
9-ethyl-3-(trifluoromethoxy)carbazole
CID 150548469
[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84630192
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene;2-[3-[[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 142110828
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine
CID 133202870
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537

Frequently Asked Questions

What is the IUPAC name of [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine?
The IUPAC name of [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine (CID 125479327) is [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine.
What is the SMILES notation for [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine?
The canonical SMILES for [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine is Cc1c(CN)c2cc(OC(F)(F)F)ccc2n1C.
What is the InChIKey of [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine?
The InChIKey is REYRZIJVDIITMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-10(6-16)9-5-8(18-12(13,14)15)3-4-11(9)17(7)2/h3-5H,6,16H2,1-2H3.
What are the key properties of [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine?
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine has a molecular weight of 258.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine is sourced from PubChem (CID 125479327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).