N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline

C24H24N2O2 — CID 169382362

IUPACN-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
SMILESC=CCc1ccccc1OCc1cc(C=NNc2ccccc2)ccc1OC
InChIInChI=1S/C24H24N2O2/c1-3-9-20-10-7-8-13-24(20)28-18-21-16-19(14-15-23(21)27-2)17-25-26-22-11-5-4-6-12-22/h3-8,10-17,26H,1,9,18H2,2H3
InChIKeyFYGNCDIKOZUOOX-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.45
Rot. Bonds9

About N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline

N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline (PubChem CID 169382362) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
PubChem CID169382362
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
SMILESC=CCc1ccccc1OCc1cc(C=NNc2ccccc2)ccc1OC
InChIInChI=1S/C24H24N2O2/c1-3-9-20-10-7-8-13-24(20)28-18-21-16-19(14-15-23(21)27-2)17-25-26-22-11-5-4-6-12-22/h3-8,10-17,26H,1,9,18H2,2H3
InChIKeyFYGNCDIKOZUOOX-UHFFFAOYSA-N
XLogP5.45
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 5348595
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline
CID 169382838
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 169382404
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
CID 7741451
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
(E)-1-(4-fluorophenyl)-3-[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19551244

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline (CID 169382362) is N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline is C=CCc1ccccc1OCc1cc(C=NNc2ccccc2)ccc1OC.
What is the InChIKey of N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline?
The InChIKey is FYGNCDIKOZUOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-9-20-10-7-8-13-24(20)28-18-21-16-19(14-15-23(21)27-2)17-25-26-22-11-5-4-6-12-22/h3-8,10-17,26H,1,9,18H2,2H3.
What are the key properties of N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline?
N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline has a molecular weight of 372.47 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).