6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide

C16H25BrN2O — CID 107724712

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H25BrN2O/c1-11-9-13(10-12(2)14(11)17)20-8-6-5-7-16(3,4)15(18)19/h9-10H,5-8H2,1-4H3,(H3,18,19)
InChIKeyZCFPKGYGLSBDAX-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.58
Rot. Bonds7

About 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide

6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide (PubChem CID 107724712) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
PubChem CID107724712
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H25BrN2O/c1-11-9-13(10-12(2)14(11)17)20-8-6-5-7-16(3,4)15(18)19/h9-10H,5-8H2,1-4H3,(H3,18,19)
InChIKeyZCFPKGYGLSBDAX-UHFFFAOYSA-N
XLogP4.58
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
6-(4-bromo-2-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712456
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide (CID 107724712) is 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide?
The InChIKey is ZCFPKGYGLSBDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11-9-13(10-12(2)14(11)17)20-8-6-5-7-16(3,4)15(18)19/h9-10H,5-8H2,1-4H3,(H3,18,19).
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide?
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide has a molecular weight of 341.29 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107724712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).