3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline

C14H12Cl2N2O — CID 7979466

IUPAC3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccccc1/C=N\Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-19-14-5-3-2-4-10(14)9-17-18-11-6-7-12(15)13(16)8-11/h2-9,18H,1H3/b17-9-
InChIKeyCIHTYTXIMIBPCO-MFOYZWKCSA-N
MW295.17 g/mol
LogP4.45
Rot. Bonds4

About 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline

3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline (PubChem CID 7979466) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
PubChem CID7979466
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccccc1/C=N\Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-19-14-5-3-2-4-10(14)9-17-18-11-6-7-12(15)13(16)8-11/h2-9,18H,1H3/b17-9-
InChIKeyCIHTYTXIMIBPCO-MFOYZWKCSA-N
XLogP4.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline
CID 9058963
3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110842502
N-[(Z)-(2-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 6051173
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxy-4-nitrophenol
CID 136704644
3-chloro-4-methoxy-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110505378

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline (CID 7979466) is 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline is COc1ccccc1/C=N\Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline?
The InChIKey is CIHTYTXIMIBPCO-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-19-14-5-3-2-4-10(14)9-17-18-11-6-7-12(15)13(16)8-11/h2-9,18H,1H3/b17-9-.
What are the key properties of 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline?
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline has a molecular weight of 295.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 7979466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).