5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide

C13H18Cl2N2O — CID 65258017

IUPAC5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,12(16)17)6-3-7-18-9-4-5-10(14)11(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H3,16,17)
InChIKeyIBXQIRHESUAYQT-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.11
Rot. Bonds6

About 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide

5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide (PubChem CID 65258017) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
PubChem CID65258017
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,12(16)17)6-3-7-18-9-4-5-10(14)11(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H3,16,17)
InChIKeyIBXQIRHESUAYQT-UHFFFAOYSA-N
XLogP4.11
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.11
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-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
CID 65258590
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide (CID 65258017) is 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide?
The InChIKey is IBXQIRHESUAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(2,12(16)17)6-3-7-18-9-4-5-10(14)11(15)8-9/h4-5,8H,3,6-7H2,1-2H3,(H3,16,17).
What are the key properties of 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide?
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide has a molecular weight of 289.21 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).