2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide

C11H16ClN3O — CID 104552204

IUPAC2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)C(C)CO
InChIInChI=1S/C11H16ClN3O/c1-7(6-16)15(2)9-5-3-4-8(12)10(9)11(13)14/h3-5,7,16H,6H2,1-2H3,(H3,13,14)
InChIKeyOCPFBGVMDVJYHQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.44
Rot. Bonds4

About 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide

2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide (PubChem CID 104552204) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
PubChem CID104552204
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)C(C)CO
InChIInChI=1S/C11H16ClN3O/c1-7(6-16)15(2)9-5-3-4-8(12)10(9)11(13)14/h3-5,7,16H,6H2,1-2H3,(H3,13,14)
InChIKeyOCPFBGVMDVJYHQ-UHFFFAOYSA-N
XLogP1.44
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.44
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
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide (CID 104552204) is 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(C)C(C)CO.
What is the InChIKey of 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide?
The InChIKey is OCPFBGVMDVJYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(6-16)15(2)9-5-3-4-8(12)10(9)11(13)14/h3-5,7,16H,6H2,1-2H3,(H3,13,14).
What are the key properties of 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide?
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide has a molecular weight of 241.72 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 104552204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).