4-(2-ethoxyphenoxy)butanimidamide

C12H18N2O2 — CID 24698549

IUPAC4-(2-ethoxyphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1OCC
InChIInChI=1S/C12H18N2O2/c1-2-15-10-6-3-4-7-11(10)16-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H3,13,14)
InChIKeyCZICDELBBWCIEP-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.18
Rot. Bonds7

About 4-(2-ethoxyphenoxy)butanimidamide

4-(2-ethoxyphenoxy)butanimidamide (PubChem CID 24698549) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)butanimidamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)butanimidamide
PubChem CID24698549
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(2-ethoxyphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccccc1OCC
InChIInChI=1S/C12H18N2O2/c1-2-15-10-6-3-4-7-11(10)16-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H3,13,14)
InChIKeyCZICDELBBWCIEP-UHFFFAOYSA-N
XLogP2.18
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.18
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

4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
4-[2-(trifluoromethyl)phenoxy]butanimidamide
CID 24702923
3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101
5-[2-(trifluoromethyl)phenoxy]pentanimidamide
CID 54965748
4-(2-methoxy-4-methylphenoxy)butanimidamide
CID 24691030
4-(3-ethylphenoxy)butanimidamide
CID 24704166
4-(3-methyl-2-nitrophenoxy)butanimidamide
CID 54915665
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)butanimidamide?
The IUPAC name of 4-(2-ethoxyphenoxy)butanimidamide (CID 24698549) is 4-(2-ethoxyphenoxy)butanimidamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)butanimidamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)butanimidamide is [H]/N=C(\N)CCCOc1ccccc1OCC.
What is the InChIKey of 4-(2-ethoxyphenoxy)butanimidamide?
The InChIKey is CZICDELBBWCIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-15-10-6-3-4-7-11(10)16-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H3,13,14).
What are the key properties of 4-(2-ethoxyphenoxy)butanimidamide?
4-(2-ethoxyphenoxy)butanimidamide has a molecular weight of 222.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)butanimidamide is sourced from PubChem (CID 24698549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).