1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid

C17H17F3N2O2 — CID 86643200

IUPAC1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1Cc2ccccc2N(c2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N2.C2HF3O2/c16-13-10-12-6-4-5-9-15(12)17(11-13)14-7-2-1-3-8-14;3-2(4,5)1(6)7/h1-9,13H,10-11,16H2;(H,6,7)
InChIKeyZPLBRMVBIJIZQU-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.34
Rot. Bonds1

About 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid

1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 86643200) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID86643200
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1Cc2ccccc2N(c2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N2.C2HF3O2/c16-13-10-12-6-4-5-9-15(12)17(11-13)14-7-2-1-3-8-14;3-2(4,5)1(6)7/h1-9,13H,10-11,16H2;(H,6,7)
InChIKeyZPLBRMVBIJIZQU-UHFFFAOYSA-N
XLogP3.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid (CID 86643200) is 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid is NC1Cc2ccccc2N(c2ccccc2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZPLBRMVBIJIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.C2HF3O2/c16-13-10-12-6-4-5-9-15(12)17(11-13)14-7-2-1-3-8-14;3-2(4,5)1(6)7/h1-9,13H,10-11,16H2;(H,6,7).
What are the key properties of 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 338.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86643200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).