3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide

C13H18F3N3O2 — CID 103370255

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
SMILESCOCCc1ccccc1NCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-21-7-6-9-4-2-3-5-11(9)18-8-10(12(17)19-20)13(14,15)16/h2-5,10,18,20H,6-8H2,1H3,(H2,17,19)
InChIKeyUXSXPQILLCZJRO-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.21
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide (PubChem CID 103370255) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
PubChem CID103370255
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
SMILESCOCCc1ccccc1NCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-21-7-6-9-4-2-3-5-11(9)18-8-10(12(17)19-20)13(14,15)16/h2-5,10,18,20H,6-8H2,1H3,(H2,17,19)
InChIKeyUXSXPQILLCZJRO-UHFFFAOYSA-N
XLogP2.21
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
CID 102906431
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
CID 103369562
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypropylamino)methyl]propanimidamide
CID 103369608
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxyanilino)methyl]propanimidamide
CID 103369598
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]propanimidamide
CID 103369453
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-3-methoxypropyl)amino]methyl]propanimidamide
CID 103369872
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-ylanilino)methyl]propanimidamide
CID 103369528
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxy-3-methylanilino)methyl]propanimidamide
CID 103369786

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide (CID 103370255) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide is COCCc1ccccc1NCC(/C(N)=N/O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide?
The InChIKey is UXSXPQILLCZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-21-7-6-9-4-2-3-5-11(9)18-8-10(12(17)19-20)13(14,15)16/h2-5,10,18,20H,6-8H2,1H3,(H2,17,19).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide has a molecular weight of 305.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide is sourced from PubChem (CID 103370255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).