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

C21H18Cl2N2O — CID 110840617

IUPAC3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
SMILESCc1ccc(Oc2ccc(C=NNc3ccc(Cl)c(Cl)c3)cc2)cc1C
InChIInChI=1S/C21H18Cl2N2O/c1-14-3-7-19(11-15(14)2)26-18-8-4-16(5-9-18)13-24-25-17-6-10-20(22)21(23)12-17/h3-13,25H,1-2H3
InChIKeyGTXLIDIGTGRQTA-UHFFFAOYSA-N
MW385.29 g/mol
LogP6.85
Rot. Bonds5

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

3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline (PubChem CID 110840617) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
PubChem CID110840617
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
SMILESCc1ccc(Oc2ccc(C=NNc3ccc(Cl)c(Cl)c3)cc2)cc1C
InChIInChI=1S/C21H18Cl2N2O/c1-14-3-7-19(11-15(14)2)26-18-8-4-16(5-9-18)13-24-25-17-6-10-20(22)21(23)12-17/h3-13,25H,1-2H3
InChIKeyGTXLIDIGTGRQTA-UHFFFAOYSA-N
XLogP6.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 56.85
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

N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153
3-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841463
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-3-nitroaniline
CID 110842350
methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
CID 8001515
3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline
CID 6263624
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline (CID 110840617) is 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline is Cc1ccc(Oc2ccc(C=NNc3ccc(Cl)c(Cl)c3)cc2)cc1C.
What is the InChIKey of 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline?
The InChIKey is GTXLIDIGTGRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c1-14-3-7-19(11-15(14)2)26-18-8-4-16(5-9-18)13-24-25-17-6-10-20(22)21(23)12-17/h3-13,25H,1-2H3.
What are the key properties of 3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline?
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline has a molecular weight of 385.29 g/mol, XLogP of 6.85, 5 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-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 110840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).