5-chloro-N,N,2-trimethylbenzenecarboximidamide

C10H13ClN2 — CID 152746806

IUPAC5-chloro-N,N,2-trimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cc(Cl)ccc1C)N(C)C
InChIInChI=1S/C10H13ClN2/c1-7-4-5-8(11)6-9(7)10(12)13(2)3/h4-6,12H,1-3H3/b12-10-
InChIKeyRIYPOLIJJDDRGS-BENRWUELSA-N
MW196.68 g/mol
LogP2.54
Rot. Bonds1

About 5-chloro-N,N,2-trimethylbenzenecarboximidamide

5-chloro-N,N,2-trimethylbenzenecarboximidamide (PubChem CID 152746806) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-chloro-N,N,2-trimethylbenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-N,N,2-trimethylbenzenecarboximidamide
PubChem CID152746806
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name5-chloro-N,N,2-trimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cc(Cl)ccc1C)N(C)C
InChIInChI=1S/C10H13ClN2/c1-7-4-5-8(11)6-9(7)10(12)13(2)3/h4-6,12H,1-3H3/b12-10-
InChIKeyRIYPOLIJJDDRGS-BENRWUELSA-N
XLogP2.54
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 62494273
2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide
CID 130543187
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
CID 142255330
1-(5-chloro-2-methylphenyl)-2,2,2-triiodoethanone
CID 169225432
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
[(5-chloro-2-methylbenzoyl)amino]urea
CID 82890358
5-chloro-N-(1-cyanoethyl)-N,2-dimethylbenzamide
CID 82883977
3-[tert-butyl-(5-chloro-2-methylbenzoyl)amino]propanoic acid
CID 82880950
methyl 3-[(5-chloro-2-methylbenzoyl)-methylamino]propanoate
CID 113329866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N,2-trimethylbenzenecarboximidamide?
The IUPAC name of 5-chloro-N,N,2-trimethylbenzenecarboximidamide (CID 152746806) is 5-chloro-N,N,2-trimethylbenzenecarboximidamide.
What is the SMILES notation for 5-chloro-N,N,2-trimethylbenzenecarboximidamide?
The canonical SMILES for 5-chloro-N,N,2-trimethylbenzenecarboximidamide is [H]/N=C(/c1cc(Cl)ccc1C)N(C)C.
What is the InChIKey of 5-chloro-N,N,2-trimethylbenzenecarboximidamide?
The InChIKey is RIYPOLIJJDDRGS-BENRWUELSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-7-4-5-8(11)6-9(7)10(12)13(2)3/h4-6,12H,1-3H3/b12-10-.
What are the key properties of 5-chloro-N,N,2-trimethylbenzenecarboximidamide?
5-chloro-N,N,2-trimethylbenzenecarboximidamide has a molecular weight of 196.68 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N,2-trimethylbenzenecarboximidamide is sourced from PubChem (CID 152746806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).