1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine

C12H13F3N2O — CID 59410127

IUPAC1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine
SMILESCOCCn1ccc2cc(C(F)(F)F)c(N)cc21
InChIInChI=1S/C12H13F3N2O/c1-18-5-4-17-3-2-8-6-9(12(13,14)15)10(16)7-11(8)17/h2-3,6-7H,4-5,16H2,1H3
InChIKeyKMIZCEWMSNHFJX-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine

1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine (PubChem CID 59410127) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine
PubChem CID59410127
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine
SMILESCOCCn1ccc2cc(C(F)(F)F)c(N)cc21
InChIInChI=1S/C12H13F3N2O/c1-18-5-4-17-3-2-8-6-9(12(13,14)15)10(16)7-11(8)17/h2-3,6-7H,4-5,16H2,1H3
InChIKeyKMIZCEWMSNHFJX-UHFFFAOYSA-N
XLogP2.89
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazineethanol, 4-(1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl)-
CID 3065056
(R,S)-1-(5-methyl-1H-indol-1-yl)propan-2-amine
CID 10845306
2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine
CID 44292364
1-Methyl-1H-indole-5-carboximidamide
CID 18545754
4-methyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 10
CID 44603604
4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)morpholine
CID 44565095
1-Methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole
CID 155562371
4-((1-octyl-5-m-tolyl-1H-indol-3-yl)methyl)morpholine
CID 49780126
4-((1-(3-methylbut-2-enyl)-5-m-tolyl-1H-indol-3-yl)methyl)morpholine
CID 49780537
N-[[3-(3-fluoropyrrolidin-1-yl)oxetan-3-yl]methyl]-1-(5-methyl-1H-indol-3-yl)methanamine
CID 168296040
2-Ethoxy-N-(1H-indol-3-ylmethylene)ethanamine
CID 52551
Indole, 1-(1-propoxyethyl)-
CID 31575

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine (CID 59410127) is 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine is COCCn1ccc2cc(C(F)(F)F)c(N)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine?
The InChIKey is KMIZCEWMSNHFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-18-5-4-17-3-2-8-6-9(12(13,14)15)10(16)7-11(8)17/h2-3,6-7H,4-5,16H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine?
1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine has a molecular weight of 258.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(trifluoromethyl)indol-6-amine is sourced from PubChem (CID 59410127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).