4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide

C10H13ClN2O — CID 63181364

IUPAC4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-14-7-6-13-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyGZTMVWBWTGUVCG-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.69
Rot. Bonds4

About 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide

4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide (PubChem CID 63181364) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
PubChem CID63181364
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-14-7-6-13-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyGZTMVWBWTGUVCG-UHFFFAOYSA-N
XLogP1.69
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.69
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'}

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Related Compounds

2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63182134
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
CID 23315119
4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 106819902
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381
N'-(2-methoxyethyl)pyridine-3-carboximidamide
CID 63181303
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63181484
N'-[(4-chlorophenyl)methyl]-4-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]propan-2-yl]benzenecarboximidamide
CID 170270607
N-(2-methoxyethyl)-1-(4-methylphenyl)ethanimine
CID 121015502
5-fluoro-N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
CID 63182012
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116513201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide (CID 63181364) is 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide is COCC/N=C(\N)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
The InChIKey is GZTMVWBWTGUVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-14-7-6-13-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,13).
What are the key properties of 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide has a molecular weight of 212.68 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide is sourced from PubChem (CID 63181364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).