6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide

C14H20Cl2N2O — CID 106712393

IUPAC6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-14(2,13(17)18)5-3-4-6-19-12-8-10(15)7-11(16)9-12/h7-9H,3-6H2,1-2H3,(H3,17,18)
InChIKeyMVANRBKWAKAMPL-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.50
Rot. Bonds7

About 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide

6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide (PubChem CID 106712393) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
PubChem CID106712393
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-14(2,13(17)18)5-3-4-6-19-12-8-10(15)7-11(16)9-12/h7-9H,3-6H2,1-2H3,(H3,17,18)
InChIKeyMVANRBKWAKAMPL-UHFFFAOYSA-N
XLogP4.50
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.50
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-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
4-(3,5-dichlorophenoxy)-2,2-dimethylbutanethioamide
CID 65248280
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401
2,2-dimethyloctanimidamide
CID 58158153
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide (CID 106712393) is 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide?
The InChIKey is MVANRBKWAKAMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-14(2,13(17)18)5-3-4-6-19-12-8-10(15)7-11(16)9-12/h7-9H,3-6H2,1-2H3,(H3,17,18).
What are the key properties of 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide?
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide has a molecular weight of 303.23 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).