5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H21BrN2O2 — CID 77063274

IUPAC5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(Br)ccc1OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H21BrN2O2/c1-10-9-11(15)5-6-12(10)19-8-4-7-14(2,3)13(16)17-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyXEIQQFYEHLPMDQ-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.69
Rot. Bonds6

About 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063274) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063274
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(Br)ccc1OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H21BrN2O2/c1-10-9-11(15)5-6-12(10)19-8-4-7-14(2,3)13(16)17-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyXEIQQFYEHLPMDQ-UHFFFAOYSA-N
XLogP3.69
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858
6-(4-bromo-2-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711792
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
5-(4-bromo-2-methylphenoxy)-2,2-dimethylpentanenitrile
CID 65255745
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063169
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 77063452

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063274) is 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1cc(Br)ccc1OCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is XEIQQFYEHLPMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10-9-11(15)5-6-12(10)19-8-4-7-14(2,3)13(16)17-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 329.24 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).