4-(2-methoxy-4-methylphenoxy)butanimidamide

C12H18N2O2 — CID 24691030

IUPAC4-(2-methoxy-4-methylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(C)cc1OC
InChIInChI=1S/C12H18N2O2/c1-9-5-6-10(11(8-9)15-2)16-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H3,13,14)
InChIKeySVQVAQJCDHQSGV-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds6

About 4-(2-methoxy-4-methylphenoxy)butanimidamide

4-(2-methoxy-4-methylphenoxy)butanimidamide (PubChem CID 24691030) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)butanimidamide.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)butanimidamide
PubChem CID24691030
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(2-methoxy-4-methylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(C)cc1OC
InChIInChI=1S/C12H18N2O2/c1-9-5-6-10(11(8-9)15-2)16-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H3,13,14)
InChIKeySVQVAQJCDHQSGV-UHFFFAOYSA-N
XLogP2.10
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
3-(2-fluoro-5-methylphenoxy)propanimidamide
CID 64853456
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368455
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 54966230
5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 54965595
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)butanimidamide?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)butanimidamide (CID 24691030) is 4-(2-methoxy-4-methylphenoxy)butanimidamide.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)butanimidamide?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)butanimidamide is [H]/N=C(\N)CCCOc1ccc(C)cc1OC.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)butanimidamide?
The InChIKey is SVQVAQJCDHQSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-6-10(11(8-9)15-2)16-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H3,13,14).
What are the key properties of 4-(2-methoxy-4-methylphenoxy)butanimidamide?
4-(2-methoxy-4-methylphenoxy)butanimidamide has a molecular weight of 222.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)butanimidamide is sourced from PubChem (CID 24691030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).