2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide

C11H15ClN2O2 — CID 169366194

IUPAC2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide
SMILESCOCCOc1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C11H15ClN2O2/c1-15-5-6-16-10-4-2-3-9(7-10)14-11(13)8-12/h2-4,7H,5-6,8H2,1H3,(H2,13,14)
InChIKeyPXGQWNIRCFDHLI-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.94
Rot. Bonds6

About 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide

2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide (PubChem CID 169366194) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide
PubChem CID169366194
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide
SMILESCOCCOc1cccc(/N=C(/N)CCl)c1
InChIInChI=1S/C11H15ClN2O2/c1-15-5-6-16-10-4-2-3-9(7-10)14-11(13)8-12/h2-4,7H,5-6,8H2,1H3,(H2,13,14)
InChIKeyPXGQWNIRCFDHLI-UHFFFAOYSA-N
XLogP1.94
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
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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Related Compounds

2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide
CID 169368917
2-chloro-N'-(3-prop-2-ynoxyphenyl)ethanimidamide
CID 169368538
2-chloro-N'-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]ethanimidamide
CID 169366543
2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
CID 169366388
methyl N-cyano-N'-[3-(2-methoxyethoxy)phenyl]carbamimidothioate
CID 169361287
3-[(1-amino-2-chloroethylidene)amino]-N-ethylbenzamide
CID 169365696
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111061369
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
CID 3524641
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061368
N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide
CID 169365647
1-hexyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061382
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide (CID 169366194) is 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide is COCCOc1cccc(/N=C(/N)CCl)c1.
What is the InChIKey of 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide?
The InChIKey is PXGQWNIRCFDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-15-5-6-16-10-4-2-3-9(7-10)14-11(13)8-12/h2-4,7H,5-6,8H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide?
2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide has a molecular weight of 242.71 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169366194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).