2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide

C14H13ClN2O — CID 107930685

IUPAC2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O/c1-9-5-6-13(12(7-9)14(16)17)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H3,16,17)
InChIKeyCBBZXHRBYDEKHU-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide

2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930685) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
PubChem CID107930685
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O/c1-9-5-6-13(12(7-9)14(16)17)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H3,16,17)
InChIKeyCBBZXHRBYDEKHU-UHFFFAOYSA-N
XLogP3.72
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.72
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'}

Analyze 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide 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-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
CID 107930737
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
5-chloro-2-(3-chlorophenoxy)benzenecarbothioamide
CID 63520511
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide (CID 107930685) is 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide?
The InChIKey is CBBZXHRBYDEKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-5-6-13(12(7-9)14(16)17)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide?
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide has a molecular weight of 260.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).