5-chloro-2-(1-phenylethoxy)benzenecarboximidamide

C15H15ClN2O — CID 62494768

IUPAC5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OC(C)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-10(11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)15(17)18/h2-10H,1H3,(H3,17,18)
InChIKeyCNZDOVUJTAIRNX-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide

5-chloro-2-(1-phenylethoxy)benzenecarboximidamide (PubChem CID 62494768) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
PubChem CID62494768
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OC(C)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-10(11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)15(17)18/h2-10H,1H3,(H3,17,18)
InChIKeyCNZDOVUJTAIRNX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109
5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387242
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide (CID 62494768) is 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OC(C)c1ccccc1.
What is the InChIKey of 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide?
The InChIKey is CNZDOVUJTAIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(11-5-3-2-4-6-11)19-14-8-7-12(16)9-13(14)15(17)18/h2-10H,1H3,(H3,17,18).
What are the key properties of 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide?
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide has a molecular weight of 274.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-phenylethoxy)benzenecarboximidamide is sourced from PubChem (CID 62494768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).