6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide

C15H24N2O2 — CID 106712416

IUPAC6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1ccc(CO)cc1
InChIInChI=1S/C15H24N2O2/c1-15(2,14(16)17)9-3-4-10-19-13-7-5-12(11-18)6-8-13/h5-8,18H,3-4,9-11H2,1-2H3,(H3,16,17)
InChIKeyVGCSSJAAJJHEDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.69
Rot. Bonds8

About 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide

6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide (PubChem CID 106712416) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
PubChem CID106712416
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1ccc(CO)cc1
InChIInChI=1S/C15H24N2O2/c1-15(2,14(16)17)9-3-4-10-19-13-7-5-12(11-18)6-8-13/h5-8,18H,3-4,9-11H2,1-2H3,(H3,16,17)
InChIKeyVGCSSJAAJJHEDE-UHFFFAOYSA-N
XLogP2.69
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 64819436
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide (CID 106712416) is 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1ccc(CO)cc1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide?
The InChIKey is VGCSSJAAJJHEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,14(16)17)9-3-4-10-19-13-7-5-12(11-18)6-8-13/h5-8,18H,3-4,9-11H2,1-2H3,(H3,16,17).
What are the key properties of 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide?
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide has a molecular weight of 264.37 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).