4-chloro-2-propan-2-yloxybenzenecarboximidamide

C10H13ClN2O — CID 63094382

IUPAC4-chloro-2-propan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC(C)C
InChIInChI=1S/C10H13ClN2O/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H3,12,13)
InChIKeyLWVFYBKQJJRDJD-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.41
Rot. Bonds3

About 4-chloro-2-propan-2-yloxybenzenecarboximidamide

4-chloro-2-propan-2-yloxybenzenecarboximidamide (PubChem CID 63094382) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-propan-2-yloxybenzenecarboximidamide
PubChem CID63094382
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-2-propan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC(C)C
InChIInChI=1S/C10H13ClN2O/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H3,12,13)
InChIKeyLWVFYBKQJJRDJD-UHFFFAOYSA-N
XLogP2.41
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606531
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yloxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-propan-2-yloxybenzenecarboximidamide (CID 63094382) is 4-chloro-2-propan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-propan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-propan-2-yloxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OC(C)C.
What is the InChIKey of 4-chloro-2-propan-2-yloxybenzenecarboximidamide?
The InChIKey is LWVFYBKQJJRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H3,12,13).
What are the key properties of 4-chloro-2-propan-2-yloxybenzenecarboximidamide?
4-chloro-2-propan-2-yloxybenzenecarboximidamide has a molecular weight of 212.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 63094382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).