2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide

C11H16ClN3O — CID 169369850

IUPAC2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide
SMILESCOCCNc1ccccc1/N=C(/N)CCl
InChIInChI=1S/C11H16ClN3O/c1-16-7-6-14-9-4-2-3-5-10(9)15-11(13)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyHXLCWWRSYCHWHA-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.97
Rot. Bonds6

About 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide

2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide (PubChem CID 169369850) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide
PubChem CID169369850
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide
SMILESCOCCNc1ccccc1/N=C(/N)CCl
InChIInChI=1S/C11H16ClN3O/c1-16-7-6-14-9-4-2-3-5-10(9)15-11(13)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyHXLCWWRSYCHWHA-UHFFFAOYSA-N
XLogP1.97
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide (CID 169369850) is 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide is COCCNc1ccccc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide?
The InChIKey is HXLCWWRSYCHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-7-6-14-9-4-2-3-5-10(9)15-11(13)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15).
What are the key properties of 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide?
2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide has a molecular weight of 241.72 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide is sourced from PubChem (CID 169369850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).