4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline

C21H19ClN2 — CID 56850221

IUPAC4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C(\c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2/c1-24(2)20-14-12-19(13-15-20)23-21(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-15H,1-2H3/b23-21+
InChIKeyWOJODSJHISSEPG-XTQSDGFTSA-N
MW334.85 g/mol
LogP5.58
Rot. Bonds4

About 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline

4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline (PubChem CID 56850221) has the molecular formula C21H19ClN2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
PubChem CID56850221
Molecular FormulaC21H19ClN2
Molecular Weight334.85 g/mol
Exact Mass334.12
IUPAC Name4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=C(\c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2/c1-24(2)20-14-12-19(13-15-20)23-21(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-15H,1-2H3/b23-21+
InChIKeyWOJODSJHISSEPG-XTQSDGFTSA-N
XLogP5.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
4-N-[4-[N-[4-[bis[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]methylideneamino]phenyl]-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-[N-[4-[bis[4-(N-phenylanilino)phenyl]methylideneamino]phenyl]-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]-N,N-diphenylaniline
CID 160656529
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
CID 102282703
CID 102282703
N-[[4-[N-[[4-[N-[[4-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-C-phenylcarbonimidoyl]phenoxy]methyl]-1-(4-ethoxyphenyl)-1-phenylmethanimine
CID 123709984
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dithione
CID 14817511
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline?
The IUPAC name of 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline (CID 56850221) is 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline is CN(C)c1ccc(/N=C(\c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline?
The InChIKey is WOJODSJHISSEPG-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H19ClN2/c1-24(2)20-14-12-19(13-15-20)23-21(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h3-15H,1-2H3/b23-21+.
What are the key properties of 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline?
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline has a molecular weight of 334.85 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline is sourced from PubChem (CID 56850221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).