N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline

C18H20N2O2 — CID 9060725

IUPACN-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
SMILESC=CCOc1ccc(/C=N\Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H20N2O2/c1-4-10-22-17-9-8-15(12-18(17)21-3)13-19-20-16-7-5-6-14(2)11-16/h4-9,11-13,20H,1,10H2,2-3H3/b19-13-
InChIKeyXTAKXFAXENGNRD-UYRXBGFRSA-N
MW296.37 g/mol
LogP4.01
Rot. Bonds7

About N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline

N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline (PubChem CID 9060725) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
PubChem CID9060725
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
SMILESC=CCOc1ccc(/C=N\Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H20N2O2/c1-4-10-22-17-9-8-15(12-18(17)21-3)13-19-20-16-7-5-6-14(2)11-16/h4-9,11-13,20H,1,10H2,2-3H3/b19-13-
InChIKeyXTAKXFAXENGNRD-UYRXBGFRSA-N
XLogP4.01
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.01
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

4-fluoro-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]aniline
CID 9076506
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
2-[2-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 40572838
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 19617455
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 9073657
2-bromo-6-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 5068133
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841046
2-hydroxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 3247960
ethyl 2-[2-methoxy-4-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetate
CID 19656010

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline?
The IUPAC name of N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline (CID 9060725) is N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline.
What is the SMILES notation for N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline?
The canonical SMILES for N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline is C=CCOc1ccc(/C=N\Nc2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline?
The InChIKey is XTAKXFAXENGNRD-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-10-22-17-9-8-15(12-18(17)21-3)13-19-20-16-7-5-6-14(2)11-16/h4-9,11-13,20H,1,10H2,2-3H3/b19-13-.
What are the key properties of N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline?
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline has a molecular weight of 296.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline is sourced from PubChem (CID 9060725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).