N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline

C21H20N2O — CID 110840190

IUPACN-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
SMILESCc1cccc(Oc2ccc(C=NNc3ccccc3)cc2)c1C
InChIInChI=1S/C21H20N2O/c1-16-7-6-10-21(17(16)2)24-20-13-11-18(12-14-20)15-22-23-19-8-4-3-5-9-19/h3-15,23H,1-2H3
InChIKeyVWACSBNAGJEVRX-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.54
Rot. Bonds5

About N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline

N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline (PubChem CID 110840190) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
PubChem CID110840190
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
SMILESCc1cccc(Oc2ccc(C=NNc3ccccc3)cc2)c1C
InChIInChI=1S/C21H20N2O/c1-16-7-6-10-21(17(16)2)24-20-13-11-18(12-14-20)15-22-23-19-8-4-3-5-9-19/h3-15,23H,1-2H3
InChIKeyVWACSBNAGJEVRX-UHFFFAOYSA-N
XLogP5.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.54
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-[2-[[4-(2,3-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841464
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
CID 169383529
4-methyl-N-[(3-phenoxyphenyl)methylideneamino]aniline;hydrochloride
CID 73242918
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline (CID 110840190) is N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline is Cc1cccc(Oc2ccc(C=NNc3ccccc3)cc2)c1C.
What is the InChIKey of N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline?
The InChIKey is VWACSBNAGJEVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-16-7-6-10-21(17(16)2)24-20-13-11-18(12-14-20)15-22-23-19-8-4-3-5-9-19/h3-15,23H,1-2H3.
What are the key properties of N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline?
N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline has a molecular weight of 316.40 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 110840190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).