5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide

C12H17ClN2O2 — CID 63684928

IUPAC5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCCOCCC
InChIInChI=1S/C12H17ClN2O2/c1-2-5-16-6-7-17-11-4-3-9(13)8-10(11)12(14)15/h3-4,8H,2,5-7H2,1H3,(H3,14,15)
InChIKeyWDSPXUTXGSNATH-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.43
Rot. Bonds7

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

5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide (PubChem CID 63684928) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
PubChem CID63684928
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCCOCCC
InChIInChI=1S/C12H17ClN2O2/c1-2-5-16-6-7-17-11-4-3-9(13)8-10(11)12(14)15/h3-4,8H,2,5-7H2,1H3,(H3,14,15)
InChIKeyWDSPXUTXGSNATH-UHFFFAOYSA-N
XLogP2.43
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.43
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'}

Analyze 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
5-tert-butylsulfanyl-2-propoxybenzenecarboximidamide
CID 21420428

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide (CID 63684928) is 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OCCOCCC.
What is the InChIKey of 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide?
The InChIKey is WDSPXUTXGSNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-5-16-6-7-17-11-4-3-9(13)8-10(11)12(14)15/h3-4,8H,2,5-7H2,1H3,(H3,14,15).
What are the key properties of 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide?
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide has a molecular weight of 256.73 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 63684928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).