1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid

C19H19Cl2F3N2O2 — CID 86643199

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
SMILESCNC1Cc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18Cl2N2.C2HF3O2/c1-20-14-9-13-4-2-3-5-17(13)21(11-14)10-12-6-7-15(18)16(19)8-12;3-2(4,5)1(6)7/h2-8,14,20H,9-11H2,1H3;(H,6,7)
InChIKeyPALFTWZGGODAJS-UHFFFAOYSA-N
MW435.27 g/mol
LogP4.78
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid

1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 86643199) has the molecular formula C19H19Cl2F3N2O2 and a molecular weight of 435.27 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID86643199
Molecular FormulaC19H19Cl2F3N2O2
Molecular Weight435.27 g/mol
Exact Mass434.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
SMILESCNC1Cc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18Cl2N2.C2HF3O2/c1-20-14-9-13-4-2-3-5-17(13)21(11-14)10-12-6-7-15(18)16(19)8-12;3-2(4,5)1(6)7/h2-8,14,20H,9-11H2,1H3;(H,6,7)
InChIKeyPALFTWZGGODAJS-UHFFFAOYSA-N
XLogP4.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 68965025
2-[1-(4-chlorophenyl)ethylamino]-N,N-diphenylacetamide;2,2,2-trifluoroacetic acid
CID 68965123
2-[1-(4-chlorophenyl)ethylamino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 68966670
(2S)-1-(5-chloro-2-methylphenyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 69512821
3-[2-(3-Chloro-4-fluorophenyl)ethylcarbamoyl]-4-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 69725389
1-phenyl-1,2,3,4-tetrahydroquinolin-3-amine TFA salt
CID 86643200
[2-(3,4-Dichlorophenyl)-4-fluorophenyl]-(piperidin-4-ylmethyl)carbamic acid
CID 155144589
2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide;2,2,2-trifluoroacetaldehyde
CID 158032322
[1-[(3-chlorophenyl)methyl]-6-isocyano-3,4-dihydro-2H-quinolin-3-yl]azanium;2,2,2-trifluoroacetate
CID 158428069
1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
CID 161163508
4-[(3,4-dichlorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 2212483
1-[(3,4-Dichlorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6983038

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid (CID 86643199) is 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid is CNC1Cc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is PALFTWZGGODAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2.C2HF3O2/c1-20-14-9-13-4-2-3-5-17(13)21(11-14)10-12-6-7-15(18)16(19)8-12;3-2(4,5)1(6)7/h2-8,14,20H,9-11H2,1H3;(H,6,7).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid?
1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 435.27 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86643199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).