3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide

C16H17ClN2O — CID 63087416

IUPAC3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)cc(C)c2C)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-9-6-10(2)11(3)15(7-9)20-14-5-4-12(16(18)19)8-13(14)17/h4-8H,1-3H3,(H3,18,19)
InChIKeyBVHUBYCNXQVOOF-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide

3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide (PubChem CID 63087416) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
PubChem CID63087416
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)cc(C)c2C)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-9-6-10(2)11(3)15(7-9)20-14-5-4-12(16(18)19)8-13(14)17/h4-8H,1-3H3,(H3,18,19)
InChIKeyBVHUBYCNXQVOOF-UHFFFAOYSA-N
XLogP4.34
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.34
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

4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
1-[3-chloro-4-(2,3,5-trimethylphenoxy)phenyl]ethanone
CID 63533846
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
4-(5-bromo-2-fluorophenoxy)-3-chlorobenzenecarboximidamide
CID 114673673
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide (CID 63087416) is 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)cc(C)c2C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
The InChIKey is BVHUBYCNXQVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9-6-10(2)11(3)15(7-9)20-14-5-4-12(16(18)19)8-13(14)17/h4-8H,1-3H3,(H3,18,19).
What are the key properties of 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide?
3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide has a molecular weight of 288.78 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3,5-trimethylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63087416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).