6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid

C16H25NO4 — CID 63985201

IUPAC6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
SMILESCNC(C)(CCCCOc1cccc(COC)c1)C(=O)O
InChIInChI=1S/C16H25NO4/c1-16(17-2,15(18)19)9-4-5-10-21-14-8-6-7-13(11-14)12-20-3/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H,18,19)
InChIKeyWOGCGQJZFVYOAZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.44
Rot. Bonds10

About 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid

6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid (PubChem CID 63985201) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
PubChem CID63985201
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
SMILESCNC(C)(CCCCOc1cccc(COC)c1)C(=O)O
InChIInChI=1S/C16H25NO4/c1-16(17-2,15(18)19)9-4-5-10-21-14-8-6-7-13(11-14)12-20-3/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H,18,19)
InChIKeyWOGCGQJZFVYOAZ-UHFFFAOYSA-N
XLogP2.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
2-methyl-2-[(3-propoxyphenyl)methylamino]pentanoic acid
CID 65055831
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid?
The IUPAC name of 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid (CID 63985201) is 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid.
What is the SMILES notation for 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid?
The canonical SMILES for 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid is CNC(C)(CCCCOc1cccc(COC)c1)C(=O)O.
What is the InChIKey of 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid?
The InChIKey is WOGCGQJZFVYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(17-2,15(18)19)9-4-5-10-21-14-8-6-7-13(11-14)12-20-3/h6-8,11,17H,4-5,9-10,12H2,1-3H3,(H,18,19).
What are the key properties of 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid?
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid is sourced from PubChem (CID 63985201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).