N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid

C16H19F3N2O3 — CID 46259340

IUPACN-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN(C)c1cc(C)c2ccccc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2O.C2HF3O2/c1-11-10-14(16(2)8-9-17-3)15-13-7-5-4-6-12(11)13;3-2(4,5)1(6)7/h4-7,10H,8-9H2,1-3H3;(H,6,7)
InChIKeyDVXQGTKPZXTBMO-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.26
Rot. Bonds4

About N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 46259340) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID46259340
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOCCN(C)c1cc(C)c2ccccc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2O.C2HF3O2/c1-11-10-14(16(2)8-9-17-3)15-13-7-5-4-6-12(11)13;3-2(4,5)1(6)7/h4-7,10H,8-9H2,1-3H3;(H,6,7)
InChIKeyDVXQGTKPZXTBMO-UHFFFAOYSA-N
XLogP3.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid (CID 46259340) is N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid is COCCN(C)c1cc(C)c2ccccc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is DVXQGTKPZXTBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2HF3O2/c1-11-10-14(16(2)8-9-17-3)15-13-7-5-4-6-12(11)13;3-2(4,5)1(6)7/h4-7,10H,8-9H2,1-3H3;(H,6,7).
What are the key properties of N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid?
N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 344.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,4-dimethylquinolin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46259340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).