6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide

C14H20BrClN2O — CID 106712361

IUPAC6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClN2O/c1-14(2,13(17)18)7-3-4-8-19-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3,(H3,17,18)
InChIKeyDPEGBPHBFYQUOW-UHFFFAOYSA-N
MW347.68 g/mol
LogP4.61
Rot. Bonds7

About 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide

6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide (PubChem CID 106712361) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
PubChem CID106712361
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClN2O/c1-14(2,13(17)18)7-3-4-8-19-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3,(H3,17,18)
InChIKeyDPEGBPHBFYQUOW-UHFFFAOYSA-N
XLogP4.61
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 54.61
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-(4-bromo-2-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712456
3-(4-bromo-2-chlorophenoxy)propanimidamide
CID 43114303
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
4-(4-bromo-2-chloro-5-fluorophenoxy)-2,2-dimethylbutanimidamide
CID 114270919
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
6-(3-bromophenyl)sulfanyl-2,2-dimethylhexanimidamide
CID 106712830
6-(2,4-dibromophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711858

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide (CID 106712361) is 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1ccc(Br)cc1Cl.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide?
The InChIKey is DPEGBPHBFYQUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-14(2,13(17)18)7-3-4-8-19-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3,(H3,17,18).
What are the key properties of 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide?
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide has a molecular weight of 347.68 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).