5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide

C12H17ClN2O — CID 116827842

IUPAC5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide
SMILESC/N=C(\N)c1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C12H17ClN2O/c1-6-7(2)11(16-5)9(12(14)15-4)8(3)10(6)13/h1-5H3,(H2,14,15)
InChIKeyIWIOFDJGWBDRLR-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.61
Rot. Bonds2

About 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide

5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide (PubChem CID 116827842) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide
PubChem CID116827842
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide
SMILESC/N=C(\N)c1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C12H17ClN2O/c1-6-7(2)11(16-5)9(12(14)15-4)8(3)10(6)13/h1-5H3,(H2,14,15)
InChIKeyIWIOFDJGWBDRLR-UHFFFAOYSA-N
XLogP2.61
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.61
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

3-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)butan-1-one
CID 116915663
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335
2-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
CID 116827831
2-methoxy-N',3,5-trimethylbenzenecarboximidamide
CID 116827784
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethyloxirane
CID 116864133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide?
The IUPAC name of 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide (CID 116827842) is 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide is C/N=C(\N)c1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide?
The InChIKey is IWIOFDJGWBDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-6-7(2)11(16-5)9(12(14)15-4)8(3)10(6)13/h1-5H3,(H2,14,15).
What are the key properties of 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide?
5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide has a molecular weight of 240.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide is sourced from PubChem (CID 116827842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).