2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide

C15H15ClN2O — CID 102724554

IUPAC2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C15H15ClN2O/c1-10-3-2-4-11(7-10)9-19-12-5-6-13(15(17)18)14(16)8-12/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyQAZSNNYFMQLHRO-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide

2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 102724554) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID102724554
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C15H15ClN2O/c1-10-3-2-4-11(7-10)9-19-12-5-6-13(15(17)18)14(16)8-12/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyQAZSNNYFMQLHRO-UHFFFAOYSA-N
XLogP3.51
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.51
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-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
CID 102724621
2-chloro-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 102724521
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
3-chloro-2-[(3-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 107060952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide (CID 102724554) is 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccc(C)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is QAZSNNYFMQLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-3-2-4-11(7-10)9-19-12-5-6-13(15(17)18)14(16)8-12/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide?
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 274.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 102724554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).