1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid

C12H17F3N2O3 — CID 173146876

IUPAC1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid
SMILESCCN(C)Nc1ccc(OC)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N2O.C2HF3O2/c1-4-12(2)11-9-5-7-10(13-3)8-6-9;3-2(4,5)1(6)7/h5-8,11H,4H2,1-3H3;(H,6,7)
InChIKeyFYQYSDDGSPMWMV-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.61
Rot. Bonds4

About 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid

1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid (PubChem CID 173146876) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid
PubChem CID173146876
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid
SMILESCCN(C)Nc1ccc(OC)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H16N2O.C2HF3O2/c1-4-12(2)11-9-5-7-10(13-3)8-6-9;3-2(4,5)1(6)7/h5-8,11H,4H2,1-3H3;(H,6,7)
InChIKeyFYQYSDDGSPMWMV-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
(4-methoxyanilino) 2,2,2-trifluoroacetate
CID 87301067
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
ethyl 2,2-difluoro-3-(4-methoxyanilino)propanoate
CID 12981865
N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide
CID 10614448
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
2-[butyl(methyl)amino]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054965
2-[2-(dimethylamino)ethyl-ethylamino]-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054565
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid (CID 173146876) is 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid is CCN(C)Nc1ccc(OC)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is FYQYSDDGSPMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2HF3O2/c1-4-12(2)11-9-5-7-10(13-3)8-6-9;3-2(4,5)1(6)7/h5-8,11H,4H2,1-3H3;(H,6,7).
What are the key properties of 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid?
1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 294.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methoxyphenyl)-1-methylhydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173146876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).