N-[(2,4-dichlorophenyl)methylideneamino]methanamine

C8H8Cl2N2 — CID 67650124

IUPACN-[(2,4-dichlorophenyl)methylideneamino]methanamine
SMILESCNN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-11-12-5-6-2-3-7(9)4-8(6)10/h2-5,11H,1H3
InChIKeyPPACPVDJESNEEG-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.55
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methylideneamino]methanamine

N-[(2,4-dichlorophenyl)methylideneamino]methanamine (PubChem CID 67650124) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]methanamine
PubChem CID67650124
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]methanamine
SMILESCNN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-11-12-5-6-2-3-7(9)4-8(6)10/h2-5,11H,1H3
InChIKeyPPACPVDJESNEEG-UHFFFAOYSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
CID 20849549
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine
CID 155130444
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]methanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]methanamine (CID 67650124) is N-[(2,4-dichlorophenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]methanamine is CNN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]methanamine?
The InChIKey is PPACPVDJESNEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-11-12-5-6-2-3-7(9)4-8(6)10/h2-5,11H,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]methanamine?
N-[(2,4-dichlorophenyl)methylideneamino]methanamine has a molecular weight of 203.07 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]methanamine is sourced from PubChem (CID 67650124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).