4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide

C15H15Cl2N3 — CID 65317772

IUPAC4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3/c1-20(9-11-8-12(16)4-7-14(11)17)13-5-2-10(3-6-13)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyFYCHQTDQHVWLTH-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.91
Rot. Bonds4

About 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide

4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 65317772) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID65317772
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3/c1-20(9-11-8-12(16)4-7-14(11)17)13-5-2-10(3-6-13)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyFYCHQTDQHVWLTH-UHFFFAOYSA-N
XLogP3.91
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.91
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

3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
4-[(2,4-dichlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62970876
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
CID 65317630
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279164
3-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799418

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide (CID 65317772) is 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is FYCHQTDQHVWLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-20(9-11-8-12(16)4-7-14(11)17)13-5-2-10(3-6-13)15(18)19/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide?
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 308.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 65317772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).