3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline

C21H20ClN3 — CID 6263624

IUPAC3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline
SMILESCc1ccc(N/N=C\c2ccc(N(C)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H20ClN3/c1-16-8-11-18(14-21(16)22)24-23-15-17-9-12-20(13-10-17)25(2)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15-
InChIKeyAUWLOSWLNYHRNH-HAHDFKILSA-N
MW349.87 g/mol
LogP5.86
Rot. Bonds5

About 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline

3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline (PubChem CID 6263624) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline
PubChem CID6263624
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline
SMILESCc1ccc(N/N=C\c2ccc(N(C)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H20ClN3/c1-16-8-11-18(14-21(16)22)24-23-15-17-9-12-20(13-10-17)25(2)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15-
InChIKeyAUWLOSWLNYHRNH-HAHDFKILSA-N
XLogP5.86
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.86
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-N-[(E)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methylaniline
CID 110506541
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840617
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449
3-chloro-4-methyl-N-(propylideneamino)aniline
CID 110842508
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
3-chloro-4-methyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110842502
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline?
The IUPAC name of 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline (CID 6263624) is 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline?
The canonical SMILES for 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline is Cc1ccc(N/N=C\c2ccc(N(C)c3ccccc3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline?
The InChIKey is AUWLOSWLNYHRNH-HAHDFKILSA-N. The full InChI is InChI=1S/C21H20ClN3/c1-16-8-11-18(14-21(16)22)24-23-15-17-9-12-20(13-10-17)25(2)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15-.
What are the key properties of 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline?
3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline has a molecular weight of 349.87 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline is sourced from PubChem (CID 6263624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).