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

C21H20N2 — CID 169382287

IUPACN-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
SMILESCc1ccc(-c2ccc(C=NNc3ccccc3)cc2)cc1C
InChIInChI=1S/C21H20N2/c1-16-8-11-20(14-17(16)2)19-12-9-18(10-13-19)15-22-23-21-6-4-3-5-7-21/h3-15,23H,1-2H3
InChIKeyGFZSPICRMNPHFM-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.42
Rot. Bonds4

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

N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline (PubChem CID 169382287) has the molecular formula C21H20N2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
PubChem CID169382287
Molecular FormulaC21H20N2
Molecular Weight300.40 g/mol
Exact Mass300.16
IUPAC NameN-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
SMILESCc1ccc(-c2ccc(C=NNc3ccccc3)cc2)cc1C
InChIInChI=1S/C21H20N2/c1-16-8-11-20(14-17(16)2)19-12-9-18(10-13-19)15-22-23-21-6-4-3-5-7-21/h3-15,23H,1-2H3
InChIKeyGFZSPICRMNPHFM-UHFFFAOYSA-N
XLogP5.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol
CID 169382274
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline
CID 50857555
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840190
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline (CID 169382287) is N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline is Cc1ccc(-c2ccc(C=NNc3ccccc3)cc2)cc1C.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline?
The InChIKey is GFZSPICRMNPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-16-8-11-20(14-17(16)2)19-12-9-18(10-13-19)15-22-23-21-6-4-3-5-7-21/h3-15,23H,1-2H3.
What are the key properties of N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline?
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline has a molecular weight of 300.40 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).