2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide

C15H16ClN3 — CID 62496666

IUPAC2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)c1ccccc1C
InChIInChI=1S/C15H16ClN3/c1-10-6-3-4-8-12(10)19(2)13-9-5-7-11(16)14(13)15(17)18/h3-9H,1-2H3,(H3,17,18)
InChIKeyUEMUALXIDDXJKN-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.70
Rot. Bonds3

About 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide

2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide (PubChem CID 62496666) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
PubChem CID62496666
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(C)c1ccccc1C
InChIInChI=1S/C15H16ClN3/c1-10-6-3-4-8-12(10)19(2)13-9-5-7-11(16)14(13)15(17)18/h3-9H,1-2H3,(H3,17,18)
InChIKeyUEMUALXIDDXJKN-UHFFFAOYSA-N
XLogP3.70
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
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-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
CID 25180158
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide (CID 62496666) is 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(C)c1ccccc1C.
What is the InChIKey of 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide?
The InChIKey is UEMUALXIDDXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-10-6-3-4-8-12(10)19(2)13-9-5-7-11(16)14(13)15(17)18/h3-9H,1-2H3,(H3,17,18).
What are the key properties of 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide?
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide has a molecular weight of 273.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide is sourced from PubChem (CID 62496666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).