N'-(3,4-dimethoxyphenyl)benzenecarboximidamide

C15H16N2O2 — CID 24834403

IUPACN'-(3,4-dimethoxyphenyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(\N)c2ccccc2)cc1OC
InChIInChI=1S/C15H16N2O2/c1-18-13-9-8-12(10-14(13)19-2)17-15(16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyRNBRCHWARABUFR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds4

About N'-(3,4-dimethoxyphenyl)benzenecarboximidamide

N'-(3,4-dimethoxyphenyl)benzenecarboximidamide (PubChem CID 24834403) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)benzenecarboximidamide
PubChem CID24834403
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN'-(3,4-dimethoxyphenyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(\N)c2ccccc2)cc1OC
InChIInChI=1S/C15H16N2O2/c1-18-13-9-8-12(10-14(13)19-2)17-15(16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,17)
InChIKeyRNBRCHWARABUFR-UHFFFAOYSA-N
XLogP2.74
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dimethoxyphenyl)guanidine
CID 12253699
5',6'-Dimethoxyspiro[cyclohexane-1,3'-indol]-2'-amine
CID 76328420
4-(Benzyloxy)-3-methoxyaniline
CID 27226
2-Chloro-N-(3,4,5-trimethoxyphenyl)benzene-1-carboximidamide
CID 211764
N'-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methylidene]methanimidamide
CID 9604993
4,5-dimethoxy-2-[(Z)-2-(4-methoxyphenyl)ethenyl]aniline
CID 16090837
N-hydroxy-4-methoxy-N'-phenylbenzenecarboximidamide
CID 12273943
m-Anisidine, 4-(3-phenylpropoxy)-
CID 27227
m-Anisidine, 4-((5-phenylpentyl)oxy)-
CID 27230
m-Anisidine, 4-((6-phenylhexyl)oxy)-
CID 27231
m-Anisidine, 4-((7-phenylheptyl)oxy)-
CID 27232
m-Anisidine, 4-((8-phenyloctyl)oxy)-
CID 27233

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)benzenecarboximidamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)benzenecarboximidamide (CID 24834403) is N'-(3,4-dimethoxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)benzenecarboximidamide is COc1ccc(/N=C(\N)c2ccccc2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)benzenecarboximidamide?
The InChIKey is RNBRCHWARABUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-18-13-9-8-12(10-14(13)19-2)17-15(16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,17).
What are the key properties of N'-(3,4-dimethoxyphenyl)benzenecarboximidamide?
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 24834403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).