4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide

C10H11ClN2O2 — CID 102606531

IUPAC4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1COC1
InChIInChI=1S/C10H11ClN2O2/c11-6-1-2-8(10(12)13)9(3-6)15-7-4-14-5-7/h1-3,7H,4-5H2,(H3,12,13)
InChIKeyREMXNTQWFKPNBZ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.40
Rot. Bonds3

About 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide

4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide (PubChem CID 102606531) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
PubChem CID102606531
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1COC1
InChIInChI=1S/C10H11ClN2O2/c11-6-1-2-8(10(12)13)9(3-6)15-7-4-14-5-7/h1-3,7H,4-5H2,(H3,12,13)
InChIKeyREMXNTQWFKPNBZ-UHFFFAOYSA-N
XLogP1.40
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323579
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide (CID 102606531) is 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OC1COC1.
What is the InChIKey of 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide?
The InChIKey is REMXNTQWFKPNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-6-1-2-8(10(12)13)9(3-6)15-7-4-14-5-7/h1-3,7H,4-5H2,(H3,12,13).
What are the key properties of 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide?
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide has a molecular weight of 226.66 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 102606531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).