1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine

C14H11Cl2N3O2 — CID 19060054

IUPAC1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine
SMILESO=[N+]([O-])c1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-13-5-2-6-14(16)12(13)9-18-17-8-10-3-1-4-11(7-10)19(20)21/h1-8,18H,9H2/b17-8+
InChIKeyXEWSUOFDVAVDJO-CAOOACKPSA-N
MW324.17 g/mol
LogP4.03
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine

1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine (PubChem CID 19060054) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine
PubChem CID19060054
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine
SMILESO=[N+]([O-])c1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-13-5-2-6-14(16)12(13)9-18-17-8-10-3-1-4-11(7-10)19(20)21/h1-8,18H,9H2/b17-8+
InChIKeyXEWSUOFDVAVDJO-CAOOACKPSA-N
XLogP4.03
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
1-(2,6-dichlorophenyl)-N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19059946
N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
CID 3282257
2,4,5-trichloro-N-[(3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1378511
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
1-(2,6-dichlorophenyl)-N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 19060034
1-(2,6-dichlorophenyl)-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]methanamine
CID 19060190
N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine
CID 67120811

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine (CID 19060054) is 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine is O=[N+]([O-])c1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine?
The InChIKey is XEWSUOFDVAVDJO-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-13-5-2-6-14(16)12(13)9-18-17-8-10-3-1-4-11(7-10)19(20)21/h1-8,18H,9H2/b17-8+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine?
1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine has a molecular weight of 324.17 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine is sourced from PubChem (CID 19060054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).