2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide

C16H17FN2O2 — CID 105371860

IUPAC2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
SMILESCc1ccc(F)cc1COc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-2-5-14(17)9-13(11)10-21-15-6-3-12(4-7-15)8-16(18)19-20/h2-7,9,20H,8,10H2,1H3,(H2,18,19)
InChIKeyGTOYZIWFHSTEAB-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide

2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide (PubChem CID 105371860) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
PubChem CID105371860
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
SMILESCc1ccc(F)cc1COc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-2-5-14(17)9-13(11)10-21-15-6-3-12(4-7-15)8-16(18)19-20/h2-7,9,20H,8,10H2,1H3,(H2,18,19)
InChIKeyGTOYZIWFHSTEAB-UHFFFAOYSA-N
XLogP3.00
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.00
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-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 114849592
4-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]butan-2-one
CID 105371732
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine
CID 105371902
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide (CID 105371860) is 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide is Cc1ccc(F)cc1COc1ccc(C/C(N)=N/O)cc1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
The InChIKey is GTOYZIWFHSTEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-2-5-14(17)9-13(11)10-21-15-6-3-12(4-7-15)8-16(18)19-20/h2-7,9,20H,8,10H2,1H3,(H2,18,19).
What are the key properties of 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide?
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide has a molecular weight of 288.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 105371860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).