N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide

C15H15ClN2O — CID 103293425

IUPACN'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide
SMILESCOc1cccc(Cl)c1C/N=C(\N)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-19-14-9-5-8-13(16)12(14)10-18-15(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyCQQAXWNRIXPTMY-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.25
Rot. Bonds4

About N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide

N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide (PubChem CID 103293425) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide
PubChem CID103293425
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide
SMILESCOc1cccc(Cl)c1C/N=C(\N)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-19-14-9-5-8-13(16)12(14)10-18-15(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyCQQAXWNRIXPTMY-UHFFFAOYSA-N
XLogP3.25
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
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

N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide
CID 103293426
2-[(2-chloro-6-methoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)guanidine
CID 67532074
3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
CID 103292702
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
(2,6-dichlorophenyl)methyl (Z)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2437997
3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
CID 20706423
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
CID 55160748
1-chloro-2-methoxybenzene
CID 13011

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide (CID 103293425) is N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide is COc1cccc(Cl)c1C/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide?
The InChIKey is CQQAXWNRIXPTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-19-14-9-5-8-13(16)12(14)10-18-15(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide?
N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide has a molecular weight of 274.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 103293425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).