2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol

C13H15F3N2O2 — CID 125472147

IUPAC2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol
SMILESCn1cc(CNCCO)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C13H15F3N2O2/c1-18-8-9(7-17-4-5-19)11-6-10(2-3-12(11)18)20-13(14,15)16/h2-3,6,8,17,19H,4-5,7H2,1H3
InChIKeyQNDWACGZIHFFLQ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.16
Rot. Bonds5

About 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol

2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol (PubChem CID 125472147) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol
PubChem CID125472147
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol
SMILESCn1cc(CNCCO)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C13H15F3N2O2/c1-18-8-9(7-17-4-5-19)11-6-10(2-3-12(11)18)20-13(14,15)16/h2-3,6,8,17,19H,4-5,7H2,1H3
InChIKeyQNDWACGZIHFFLQ-UHFFFAOYSA-N
XLogP2.16
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
CID 11857024
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
CID 82495412
9-ethyl-3-(trifluoromethoxy)carbazole
CID 150548469

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol (CID 125472147) is 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol is Cn1cc(CNCCO)c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol?
The InChIKey is QNDWACGZIHFFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-18-8-9(7-17-4-5-19)11-6-10(2-3-12(11)18)20-13(14,15)16/h2-3,6,8,17,19H,4-5,7H2,1H3.
What are the key properties of 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol?
2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol has a molecular weight of 288.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol is sourced from PubChem (CID 125472147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).