5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide

C16H18ClN3 — CID 62494273

IUPAC5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)c1ccc(C)cc1C
InChIInChI=1S/C16H18ClN3/c1-10-4-6-14(11(2)8-10)20(3)15-7-5-12(17)9-13(15)16(18)19/h4-9H,1-3H3,(H3,18,19)
InChIKeyXLXBEMXGVVEJFO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.01
Rot. Bonds3

About 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide

5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide (PubChem CID 62494273) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
PubChem CID62494273
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)c1ccc(C)cc1C
InChIInChI=1S/C16H18ClN3/c1-10-4-6-14(11(2)8-10)20(3)15-7-5-12(17)9-13(15)16(18)19/h4-9H,1-3H3,(H3,18,19)
InChIKeyXLXBEMXGVVEJFO-UHFFFAOYSA-N
XLogP4.01
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.01
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

4-chloro-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 63519613
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
5-chloro-2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 62493758
5-methyl-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 107928865
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
CID 114845516
2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
CID 55234516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide (CID 62494273) is 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)c1ccc(C)cc1C.
What is the InChIKey of 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide?
The InChIKey is XLXBEMXGVVEJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-10-4-6-14(11(2)8-10)20(3)15-7-5-12(17)9-13(15)16(18)19/h4-9H,1-3H3,(H3,18,19).
What are the key properties of 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide?
5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide has a molecular weight of 287.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide is sourced from PubChem (CID 62494273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).