3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide

C10H14ClN3O — CID 102666795

IUPAC3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)Cc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(2)6-8-4-3-7(5-9(8)11)10(12)13-15/h3-5,15H,6H2,1-2H3,(H2,12,13)
InChIKeyFOWDZRCOHBBWKA-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.50
Rot. Bonds3

About 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102666795) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102666795
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)Cc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C10H14ClN3O/c1-14(2)6-8-4-3-7(5-9(8)11)10(12)13-15/h3-5,15H,6H2,1-2H3,(H2,12,13)
InChIKeyFOWDZRCOHBBWKA-UHFFFAOYSA-N
XLogP1.50
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(N,2-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666909
3-chloro-4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666807
3-chloro-N'-hydroxy-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 102666920
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666897
4-[(2-chloro-4-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 106863831
3-chloro-4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102667216
3-chloro-N'-hydroxy-4-[(2-hydroxyethylamino)methyl]benzenecarboximidamide
CID 102667080
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666899
3-chloro-4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 106148684
methyl 2-[2-chloro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86683498
3-chloro-4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666931
3-chloro-N'-hydroxy-4-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 102667140

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 102666795) is 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide is CN(C)Cc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FOWDZRCOHBBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14(2)6-8-4-3-7(5-9(8)11)10(12)13-15/h3-5,15H,6H2,1-2H3,(H2,12,13).
What are the key properties of 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 227.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102666795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).