2-(3-ethoxyphenyl)ethanimidamide

C10H14N2O — CID 4114058

IUPAC2-(3-ethoxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(OCC)c1
InChIInChI=1S/C10H14N2O/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H3,11,12)
InChIKeyILPQCODZEJJZON-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.56
Rot. Bonds4

About 2-(3-ethoxyphenyl)ethanimidamide

2-(3-ethoxyphenyl)ethanimidamide (PubChem CID 4114058) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)ethanimidamide
PubChem CID4114058
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-(3-ethoxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(OCC)c1
InChIInChI=1S/C10H14N2O/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H3,11,12)
InChIKeyILPQCODZEJJZON-UHFFFAOYSA-N
XLogP1.56
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-ethoxyphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
4-(3-ethylphenoxy)butanimidamide
CID 24704166
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982957
2-phenylethanimidamide
CID 27787
(3-ethoxyphenyl)methyl-trimethylazanium
CID 23274216
(3-ethoxyphenyl)methanethiol
CID 79885244
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)ethanimidamide?
The IUPAC name of 2-(3-ethoxyphenyl)ethanimidamide (CID 4114058) is 2-(3-ethoxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(3-ethoxyphenyl)ethanimidamide?
The canonical SMILES for 2-(3-ethoxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1cccc(OCC)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)ethanimidamide?
The InChIKey is ILPQCODZEJJZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H3,11,12).
What are the key properties of 2-(3-ethoxyphenyl)ethanimidamide?
2-(3-ethoxyphenyl)ethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)ethanimidamide is sourced from PubChem (CID 4114058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).