2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide

C11H16FN3O — CID 76979744

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
SMILESCC(c1ccccc1F)N(C)CC(N)=NO
InChIInChI=1S/C11H16FN3O/c1-8(15(2)7-11(13)14-16)9-5-3-4-6-10(9)12/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyPJAMRIREKSWQOZ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.56
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide

2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 76979744) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID76979744
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
SMILESCC(c1ccccc1F)N(C)CC(N)=NO
InChIInChI=1S/C11H16FN3O/c1-8(15(2)7-11(13)14-16)9-5-3-4-6-10(9)12/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyPJAMRIREKSWQOZ-UHFFFAOYSA-N
XLogP1.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.56
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'}

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide (CID 76979744) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide is CC(c1ccccc1F)N(C)CC(N)=NO.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is PJAMRIREKSWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(15(2)7-11(13)14-16)9-5-3-4-6-10(9)12/h3-6,8,16H,7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide?
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 225.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76979744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).