6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide

C14H21ClN2O — CID 106712293

IUPAC6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-14(2,13(16)17)8-3-4-9-18-12-7-5-6-11(15)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H3,16,17)
InChIKeySJDLLRIXRVEPFY-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.85
Rot. Bonds7

About 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide

6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide (PubChem CID 106712293) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
PubChem CID106712293
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-14(2,13(16)17)8-3-4-9-18-12-7-5-6-11(15)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H3,16,17)
InChIKeySJDLLRIXRVEPFY-UHFFFAOYSA-N
XLogP3.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.85
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
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
CID 65258590
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide (CID 106712293) is 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide?
The InChIKey is SJDLLRIXRVEPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,13(16)17)8-3-4-9-18-12-7-5-6-11(15)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H3,16,17).
What are the key properties of 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide?
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide has a molecular weight of 268.79 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).