5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide

C11H15ClN2O2 — CID 62494463

IUPAC5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCCOCC
InChIInChI=1S/C11H15ClN2O2/c1-2-15-5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H3,13,14)
InChIKeyIXUIIKRPQIMGSK-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.04
Rot. Bonds6

About 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide

5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide (PubChem CID 62494463) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
PubChem CID62494463
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCCOCC
InChIInChI=1S/C11H15ClN2O2/c1-2-15-5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H3,13,14)
InChIKeyIXUIIKRPQIMGSK-UHFFFAOYSA-N
XLogP2.04
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468119
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide (CID 62494463) is 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OCCOCC.
What is the InChIKey of 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide?
The InChIKey is IXUIIKRPQIMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-15-5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H3,13,14).
What are the key properties of 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide?
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide has a molecular weight of 242.71 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 62494463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).