4-(4-ethoxyphenoxy)butanimidamide

C12H18N2O2 — CID 24707603

IUPAC4-(4-ethoxyphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(OCC)cc1
InChIInChI=1S/C12H18N2O2/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H3,13,14)
InChIKeyUYICTRMJDVBSMA-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.18
Rot. Bonds7

About 4-(4-ethoxyphenoxy)butanimidamide

4-(4-ethoxyphenoxy)butanimidamide (PubChem CID 24707603) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)butanimidamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)butanimidamide
PubChem CID24707603
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(4-ethoxyphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1ccc(OCC)cc1
InChIInChI=1S/C12H18N2O2/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H3,13,14)
InChIKeyUYICTRMJDVBSMA-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-ethoxyphenoxy)butanimidamide
CID 24698549
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769
4-(3-ethylphenoxy)butanimidamide
CID 24704166
5-[4-(trifluoromethyl)phenoxy]pentanimidamide
CID 54966069
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
ethyl 4-(4-carbamimidoylphenoxy)butanoate
CID 23371394
4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
2-(4-ethylphenoxy)ethanimidamide
CID 24709698
4-butoxybenzenecarboximidamide
CID 3015454
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
4-(4-ethoxyphenoxy)butanoate
CID 2392386
3-(4-benzylphenoxy)propanimidamide
CID 62274046

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)butanimidamide?
The IUPAC name of 4-(4-ethoxyphenoxy)butanimidamide (CID 24707603) is 4-(4-ethoxyphenoxy)butanimidamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)butanimidamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)butanimidamide is [H]/N=C(\N)CCCOc1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)butanimidamide?
The InChIKey is UYICTRMJDVBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H3,13,14).
What are the key properties of 4-(4-ethoxyphenoxy)butanimidamide?
4-(4-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-(4-ethoxyphenoxy)butanimidamide is sourced from PubChem (CID 24707603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).