1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine

C14H17F3N2 — CID 117121456

IUPAC1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
SMILESCCn1c(CC(C)N)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-3-19-12(6-9(2)18)8-10-7-11(14(15,16)17)4-5-13(10)19/h4-5,7-9H,3,6,18H2,1-2H3
InChIKeyWZAPVJFTIJOFKE-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.57
Rot. Bonds3

About 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine

1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine (PubChem CID 117121456) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
PubChem CID117121456
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
SMILESCCn1c(CC(C)N)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-3-19-12(6-9(2)18)8-10-7-11(14(15,16)17)4-5-13(10)19/h4-5,7-9H,3,6,18H2,1-2H3
InChIKeyWZAPVJFTIJOFKE-UHFFFAOYSA-N
XLogP3.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-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-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121445
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
CID 117122614
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 59177157
2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
CID 115072108

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine (CID 117121456) is 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine is CCn1c(CC(C)N)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
The InChIKey is WZAPVJFTIJOFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-3-19-12(6-9(2)18)8-10-7-11(14(15,16)17)4-5-13(10)19/h4-5,7-9H,3,6,18H2,1-2H3.
What are the key properties of 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine has a molecular weight of 270.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine is sourced from PubChem (CID 117121456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).