2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid

C13H17F3N2O2 — CID 160947916

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCC1Cc2ccccc2N1CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2.C2HF3O2/c1-9-8-10-4-2-3-5-11(10)13(9)7-6-12;3-2(4,5)1(6)7/h2-5,9H,6-8,12H2,1H3;(H,6,7)
InChIKeySVJBTWSWANMVCO-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.03
Rot. Bonds2

About 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid

2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 160947916) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
PubChem CID160947916
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCC1Cc2ccccc2N1CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2.C2HF3O2/c1-9-8-10-4-2-3-5-11(10)13(9)7-6-12;3-2(4,5)1(6)7/h2-5,9H,6-8,12H2,1H3;(H,6,7)
InChIKeySVJBTWSWANMVCO-UHFFFAOYSA-N
XLogP2.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid 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

4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
1-(2-aminoethyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68898176
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
2-(2-fluorophenyl)-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60616325
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
3,3,3-trifluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]propanethioamide
CID 103368487
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
CID 20991558

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid (CID 160947916) is 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid is CC1Cc2ccccc2N1CCN.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SVJBTWSWANMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2HF3O2/c1-9-8-10-4-2-3-5-11(10)13(9)7-6-12;3-2(4,5)1(6)7/h2-5,9H,6-8,12H2,1H3;(H,6,7).
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid?
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 290.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160947916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).