N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide

C11H15ClN2O — CID 63174253

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
SMILESCC/C(N)=N\c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O/c1-4-11(13)14-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H2,13,14)
InChIKeyXLPMAWMBQYKJEB-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.06
Rot. Bonds3

About N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide

N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide (PubChem CID 63174253) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
PubChem CID63174253
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
SMILESCC/C(N)=N\c1cc(C)c(Cl)cc1OC
InChIInChI=1S/C11H15ClN2O/c1-4-11(13)14-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H2,13,14)
InChIKeyXLPMAWMBQYKJEB-UHFFFAOYSA-N
XLogP3.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.06
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

2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide
CID 164661312
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
CID 62481867
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
2-(4-chloro-2-methoxy-5-methylanilino)butanamide
CID 55133159
4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
CID 66044486
N'-(4-bromo-3-methoxyphenyl)propanimidamide
CID 82859122
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide (CID 63174253) is N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide is CC/C(N)=N\c1cc(C)c(Cl)cc1OC.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide?
The InChIKey is XLPMAWMBQYKJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-4-11(13)14-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H2,13,14).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide has a molecular weight of 226.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide is sourced from PubChem (CID 63174253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).