(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate

C17H23F3N2O2 — CID 160804155

IUPAC(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate
SMILESCCCOC=O.N[C@H]1C[C@@H](C2CC2)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H15F3N2.C4H8O2/c14-13(15,16)8-3-4-11-9(5-8)10(17)6-12(18-11)7-1-2-7;1-2-3-6-4-5/h3-5,7,10,12,18H,1-2,6,17H2;4H,2-3H2,1H3/t10-,12-;/m0./s1
InChIKeySDLWKCKNJUYGTL-JGAZGGJJSA-N
MW344.38 g/mol
LogP3.87
Rot. Bonds4

About (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate

(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate (PubChem CID 160804155) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate.

Molecular Properties

Compound Name(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate
PubChem CID160804155
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate
SMILESCCCOC=O.N[C@H]1C[C@@H](C2CC2)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H15F3N2.C4H8O2/c14-13(15,16)8-3-4-11-9(5-8)10(17)6-12(18-11)7-1-2-7;1-2-3-6-4-5/h3-5,7,10,12,18H,1-2,6,17H2;4H,2-3H2,1H3/t10-,12-;/m0./s1
InChIKeySDLWKCKNJUYGTL-JGAZGGJJSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate 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 (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate?
The IUPAC name of (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate (CID 160804155) is (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate.
What is the SMILES notation for (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate?
The canonical SMILES for (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate is CCCOC=O.N[C@H]1C[C@@H](C2CC2)Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate?
The InChIKey is SDLWKCKNJUYGTL-JGAZGGJJSA-N. The full InChI is InChI=1S/C13H15F3N2.C4H8O2/c14-13(15,16)8-3-4-11-9(5-8)10(17)6-12(18-11)7-1-2-7;1-2-3-6-4-5/h3-5,7,10,12,18H,1-2,6,17H2;4H,2-3H2,1H3/t10-,12-;/m0./s1.
What are the key properties of (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate?
(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate has a molecular weight of 344.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate is sourced from PubChem (CID 160804155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).