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

C14H12Cl2N2O — CID 110840444

IUPAC3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-19-12-5-2-10(3-6-12)9-17-18-11-4-7-13(15)14(16)8-11/h2-9,18H,1H3
InChIKeyUKALKLRPILJVIH-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.45
Rot. Bonds4

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

3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline (PubChem CID 110840444) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
PubChem CID110840444
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-19-12-5-2-10(3-6-12)9-17-18-11-4-7-13(15)14(16)8-11/h2-9,18H,1H3
InChIKeyUKALKLRPILJVIH-UHFFFAOYSA-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

2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7415273
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840617
methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
CID 8001515
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
CID 958548
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline (CID 110840444) is 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline is COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline?
The InChIKey is UKALKLRPILJVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-19-12-5-2-10(3-6-12)9-17-18-11-4-7-13(15)14(16)8-11/h2-9,18H,1H3.
What are the key properties of 3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline?
3,4-dichloro-N-[(4-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-[(4-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110840444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).