4-chloro-2-(ethoxymethoxy)benzenecarboximidamide

C10H13ClN2O2 — CID 114323630

IUPAC4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCOCC
InChIInChI=1S/C10H13ClN2O2/c1-2-14-6-15-9-5-7(11)3-4-8(9)10(12)13/h3-5H,2,6H2,1H3,(H3,12,13)
InChIKeyWUXVXLBXDUCHEW-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.00
Rot. Bonds5

About 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide

4-chloro-2-(ethoxymethoxy)benzenecarboximidamide (PubChem CID 114323630) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
PubChem CID114323630
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCOCC
InChIInChI=1S/C10H13ClN2O2/c1-2-14-6-15-9-5-7(11)3-4-8(9)10(12)13/h3-5H,2,6H2,1H3,(H3,12,13)
InChIKeyWUXVXLBXDUCHEW-UHFFFAOYSA-N
XLogP2.00
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 114323567
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide (CID 114323630) is 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCOCC.
What is the InChIKey of 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide?
The InChIKey is WUXVXLBXDUCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-14-6-15-9-5-7(11)3-4-8(9)10(12)13/h3-5H,2,6H2,1H3,(H3,12,13).
What are the key properties of 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide?
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide has a molecular weight of 228.68 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethoxymethoxy)benzenecarboximidamide is sourced from PubChem (CID 114323630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).