N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline

C21H20N2O — CID 169382750

IUPACN-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1cccc(COc2ccc(C=NNc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O/c1-17-6-5-7-19(14-17)16-24-21-12-10-18(11-13-21)15-22-23-20-8-3-2-4-9-20/h2-15,23H,16H2,1H3
InChIKeyLYJSQELXZKEMHQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.02
Rot. Bonds6

About N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline

N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169382750) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169382750
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCc1cccc(COc2ccc(C=NNc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O/c1-17-6-5-7-19(14-17)16-24-21-12-10-18(11-13-21)15-22-23-20-8-3-2-4-9-20/h2-15,23H,16H2,1H3
InChIKeyLYJSQELXZKEMHQ-UHFFFAOYSA-N
XLogP5.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.02
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-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
2-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339797
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
4-chloro-5-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339788
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110840934
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 169382750) is N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline is Cc1cccc(COc2ccc(C=NNc3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is LYJSQELXZKEMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-17-6-5-7-19(14-17)16-24-21-12-10-18(11-13-21)15-22-23-20-8-3-2-4-9-20/h2-15,23H,16H2,1H3.
What are the key properties of N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 316.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).