3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide

C11H15ClN2O2 — CID 43368325

IUPAC3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
SMILESCc1cc(Cl)ccc1OCC(C)/C(N)=N/O
InChIInChI=1S/C11H15ClN2O2/c1-7-5-9(12)3-4-10(7)16-6-8(2)11(13)14-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14)
InChIKeyVVGYUGGKNNFEQP-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.41
Rot. Bonds4

About 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide

3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43368325) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
PubChem CID43368325
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide
SMILESCc1cc(Cl)ccc1OCC(C)/C(N)=N/O
InChIInChI=1S/C11H15ClN2O2/c1-7-5-9(12)3-4-10(7)16-6-8(2)11(13)14-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14)
InChIKeyVVGYUGGKNNFEQP-UHFFFAOYSA-N
XLogP2.41
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.41
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

3-(2-bromo-4-chlorophenoxy)-N'-hydroxy-2-methylpropanimidamide
CID 43175176
(2S)-1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-amine
CID 39110054
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005
2-[(4-chloro-2-methylphenoxy)methyl]-3,3,3-trifluoropropanethioamide
CID 103369023
4-chloro-1-(4-chloro-2-methylphenoxy)butan-2-ol
CID 13120346
4-chloro-1-(2,2-diethoxyethoxy)-2-methylbenzene
CID 2777433
3-(4-chloro-2-methylphenoxy)-2-ethoxypropan-1-amine
CID 63069683
3-(4-chloro-2-methylphenoxy)-N'-hydroxypentanimidamide
CID 43368320
sodium 1-(4-chloro-2-methylphenoxy)propan-2-yl hydrogen sulfate
CID 157108260
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide (CID 43368325) is 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide is Cc1cc(Cl)ccc1OCC(C)/C(N)=N/O.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VVGYUGGKNNFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-5-9(12)3-4-10(7)16-6-8(2)11(13)14-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide?
3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 242.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenoxy)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43368325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).