3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C15H23F2N3O — CID 116789548

IUPAC3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CC/C(N)=N/O)CC(F)(F)c1ccccc1
InChIInChI=1S/C15H23F2N3O/c1-12(2)10-20(9-8-14(18)19-21)11-15(16,17)13-6-4-3-5-7-13/h3-7,12,21H,8-11H2,1-2H3,(H2,18,19)
InChIKeyXJJIUZSTDSNULE-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.87
Rot. Bonds8

About 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 116789548) has the molecular formula C15H23F2N3O and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID116789548
Molecular FormulaC15H23F2N3O
Molecular Weight299.36 g/mol
Exact Mass299.18
IUPAC Name3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CC/C(N)=N/O)CC(F)(F)c1ccccc1
InChIInChI=1S/C15H23F2N3O/c1-12(2)10-20(9-8-14(18)19-21)11-15(16,17)13-6-4-3-5-7-13/h3-7,12,21H,8-11H2,1-2H3,(H2,18,19)
InChIKeyXJJIUZSTDSNULE-UHFFFAOYSA-N
XLogP2.87
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
N'-hydroxy-3-[2-methylpropyl-[5-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 76917211
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
3-[2,3-dihydro-1-benzothiophen-3-ylmethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79205593
2-[(2,2-difluoro-2-phenylethyl)-ethylamino]ethanethioamide
CID 116789419
N'-hydroxy-3-[2-methylpropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanimidamide
CID 104928290
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 116789548) is 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CC/C(N)=N/O)CC(F)(F)c1ccccc1.
What is the InChIKey of 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is XJJIUZSTDSNULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-12(2)10-20(9-8-14(18)19-21)11-15(16,17)13-6-4-3-5-7-13/h3-7,12,21H,8-11H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 299.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 116789548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).