2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide

C11H15ClN2O — CID 63182134

IUPAC2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(\N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-15-7-6-14-11(13)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14)
InChIKeySRMOIOCEBHKMCO-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide

2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide (PubChem CID 63182134) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
PubChem CID63182134
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(\N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-15-7-6-14-11(13)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14)
InChIKeySRMOIOCEBHKMCO-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'}

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Related Compounds

2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63181484
4-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181364
4-chloro-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 106819902
1-chloro-4-[(Z)-3-[(4-chlorophenyl)methyl]-4-methoxy-2-(methoxymethyl)but-2-enyl]benzene
CID 122214567
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243
1-(4-chlorophenyl)-5-methoxypentan-2-one
CID 62621697
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
CID 62544954
N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542669
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide
CID 70693458
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide
CID 58742459

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide (CID 63182134) is 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide is COCC/N=C(\N)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The InChIKey is SRMOIOCEBHKMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-7-6-14-11(13)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14).
What are the key properties of 2-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
2-(4-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-(4-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide is sourced from PubChem (CID 63182134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).