N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline

C23H24N2O — CID 110840934

IUPACN-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(OCc3cc(C)ccc3C)cc2)cc1
InChIInChI=1S/C23H24N2O/c1-17-5-10-22(11-6-17)25-24-15-20-8-12-23(13-9-20)26-16-21-14-18(2)4-7-19(21)3/h4-15,25H,16H2,1-3H3
InChIKeyXHKSEFQWISAJGG-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.64
Rot. Bonds6

About N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline

N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline (PubChem CID 110840934) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
PubChem CID110840934
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(OCc3cc(C)ccc3C)cc2)cc1
InChIInChI=1S/C23H24N2O/c1-17-5-10-22(11-6-17)25-24-15-20-8-12-23(13-9-20)26-16-21-14-18(2)4-7-19(21)3/h4-15,25H,16H2,1-3H3
InChIKeyXHKSEFQWISAJGG-UHFFFAOYSA-N
XLogP5.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.64
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

4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840727
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
2-[4-[(2,5-dimethylphenyl)methoxy]phenyl]acetaldehyde
CID 91241633
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840683

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The IUPAC name of N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline (CID 110840934) is N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The canonical SMILES for N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline is Cc1ccc(NN=Cc2ccc(OCc3cc(C)ccc3C)cc2)cc1.
What is the InChIKey of N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The InChIKey is XHKSEFQWISAJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-17-5-10-22(11-6-17)25-24-15-20-8-12-23(13-9-20)26-16-21-14-18(2)4-7-19(21)3/h4-15,25H,16H2,1-3H3.
What are the key properties of N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline has a molecular weight of 344.46 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 110840934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).