2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide

C11H15ClN2O — CID 63181484

IUPAC2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(\N)Cc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-15-6-5-14-11(13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3,(H2,13,14)
InChIKeyHYTZFKXBXVLBTR-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide

2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide (PubChem CID 63181484) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
PubChem CID63181484
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(\N)Cc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-15-6-5-14-11(13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3,(H2,13,14)
InChIKeyHYTZFKXBXVLBTR-UHFFFAOYSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
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'}

Analyze 2-(3-chlorophenyl)-N'-(2-methoxyethyl)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-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134
N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide
CID 70693458
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide
CID 54380002
N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542673
N'-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)ethanimidamide
CID 67954454
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181364
4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 106819902
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
1-amino-2-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511044
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
3-amino-1-(3-chlorophenyl)-3-methylpentan-2-one
CID 116590344

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The IUPAC name of 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide (CID 63181484) is 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The canonical SMILES for 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide is COCC/N=C(\N)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The InChIKey is HYTZFKXBXVLBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-6-5-14-11(13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3,(H2,13,14).
What are the key properties of 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide has a molecular weight of 226.71 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide is sourced from PubChem (CID 63181484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).