4-(3-ethylphenoxy)butanimidamide

C12H18N2O — CID 24704166

IUPAC4-(3-ethylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1cccc(CC)c1
InChIInChI=1S/C12H18N2O/c1-2-10-5-3-6-11(9-10)15-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H3,13,14)
InChIKeyIGLTWBQGWAWCEN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.34
Rot. Bonds6

About 4-(3-ethylphenoxy)butanimidamide

4-(3-ethylphenoxy)butanimidamide (PubChem CID 24704166) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)butanimidamide.

Molecular Properties

Compound Name4-(3-ethylphenoxy)butanimidamide
PubChem CID24704166
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(3-ethylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOc1cccc(CC)c1
InChIInChI=1S/C12H18N2O/c1-2-10-5-3-6-11(9-10)15-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H3,13,14)
InChIKeyIGLTWBQGWAWCEN-UHFFFAOYSA-N
XLogP2.34
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-ethylphenoxy)butanamide
CID 82040637
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide
CID 159651622
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 54966332
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
CID 21294580
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
3-[2-(3-ethylphenoxy)ethoxy]benzenecarbothioamide
CID 43291286

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)butanimidamide?
The IUPAC name of 4-(3-ethylphenoxy)butanimidamide (CID 24704166) is 4-(3-ethylphenoxy)butanimidamide.
What is the SMILES notation for 4-(3-ethylphenoxy)butanimidamide?
The canonical SMILES for 4-(3-ethylphenoxy)butanimidamide is [H]/N=C(\N)CCCOc1cccc(CC)c1.
What is the InChIKey of 4-(3-ethylphenoxy)butanimidamide?
The InChIKey is IGLTWBQGWAWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10-5-3-6-11(9-10)15-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H3,13,14).
What are the key properties of 4-(3-ethylphenoxy)butanimidamide?
4-(3-ethylphenoxy)butanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)butanimidamide is sourced from PubChem (CID 24704166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).