1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine

C17H15F3N2 — CID 118466537

IUPAC1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
SMILESCCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N)ccc21
InChIInChI=1S/C17H15F3N2/c1-2-22-15-7-6-14(21)9-12(15)10-16(22)11-4-3-5-13(8-11)17(18,19)20/h3-10H,2,21H2,1H3
InChIKeyZTDBGTVIZCMNIH-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.93
Rot. Bonds2

About 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine

1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine (PubChem CID 118466537) has the molecular formula C17H15F3N2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine.

Molecular Properties

Compound Name1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
PubChem CID118466537
Molecular FormulaC17H15F3N2
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
SMILESCCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N)ccc21
InChIInChI=1S/C17H15F3N2/c1-2-22-15-7-6-14(21)9-12(15)10-16(22)11-4-3-5-13(8-11)17(18,19)20/h3-10H,2,21H2,1H3
InChIKeyZTDBGTVIZCMNIH-UHFFFAOYSA-N
XLogP4.93
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine 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

1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole
CID 174901786
ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-amine
CID 144945360
1-ethyl-2-(3-methylphenyl)pyrrolo[3,2-b]pyridin-5-amine
CID 155323773
1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
CID 158368432
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121445
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
4-ethyl-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
CID 113299989
2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-amine
CID 118466453
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310424
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62226776

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine?
The IUPAC name of 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine (CID 118466537) is 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine.
What is the SMILES notation for 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine?
The canonical SMILES for 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine is CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N)ccc21.
What is the InChIKey of 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine?
The InChIKey is ZTDBGTVIZCMNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c1-2-22-15-7-6-14(21)9-12(15)10-16(22)11-4-3-5-13(8-11)17(18,19)20/h3-10H,2,21H2,1H3.
What are the key properties of 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine?
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine has a molecular weight of 304.32 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine is sourced from PubChem (CID 118466537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).