2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide

C15H15BrClN3 — CID 107279164

IUPAC2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H15BrClN3/c1-20(9-10-4-2-3-5-14(10)17)11-6-7-12(15(18)19)13(16)8-11/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyAIBONRFAIJLARS-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.02
Rot. Bonds4

About 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide

2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 107279164) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID107279164
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC Name2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H15BrClN3/c1-20(9-10-4-2-3-5-14(10)17)11-6-7-12(15(18)19)13(16)8-11/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyAIBONRFAIJLARS-UHFFFAOYSA-N
XLogP4.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.02
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-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
3-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799418
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
CID 63673253
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzonitrile
CID 107276024
2-bromo-4-[cyclobutylmethyl(methyl)amino]benzenecarboximidamide
CID 107279277
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
2-bromo-N'-hydroxy-4-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 107278600
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 107279116
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
2-bromo-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107279306

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide (CID 107279164) is 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is AIBONRFAIJLARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c1-20(9-10-4-2-3-5-14(10)17)11-6-7-12(15(18)19)13(16)8-11/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide?
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 352.66 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 107279164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).