2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide

C13H20ClN3O — CID 79387650

IUPAC2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CC)CC(C)(C)O
InChIInChI=1S/C13H20ClN3O/c1-4-17(8-13(2,3)18)10-7-5-6-9(14)11(10)12(15)16/h5-7,18H,4,8H2,1-3H3,(H3,15,16)
InChIKeyXGIHYWAGBJOHEG-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide

2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide (PubChem CID 79387650) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
PubChem CID79387650
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CC)CC(C)(C)O
InChIInChI=1S/C13H20ClN3O/c1-4-17(8-13(2,3)18)10-7-5-6-9(14)11(10)12(15)16/h5-7,18H,4,8H2,1-3H3,(H3,15,16)
InChIKeyXGIHYWAGBJOHEG-UHFFFAOYSA-N
XLogP2.22
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.22
H-Bond Donors ≤ 53
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

2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648
2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480225
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79390759
5-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 114893089
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide (CID 79387650) is 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(CC)CC(C)(C)O.
What is the InChIKey of 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide?
The InChIKey is XGIHYWAGBJOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-17(8-13(2,3)18)10-7-5-6-9(14)11(10)12(15)16/h5-7,18H,4,8H2,1-3H3,(H3,15,16).
What are the key properties of 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide?
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide has a molecular weight of 269.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 79387650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).