N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline

C19H24N2O2 — CID 110504984

IUPACN-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
SMILESCCCOc1c(/C=N/Nc2ccc(C)c(C)c2)cccc1OC
InChIInChI=1S/C19H24N2O2/c1-5-11-23-19-16(7-6-8-18(19)22-4)13-20-21-17-10-9-14(2)15(3)12-17/h6-10,12-13,21H,5,11H2,1-4H3/b20-13+
InChIKeyGSEDKBVJIYBJBX-DEDYPNTBSA-N
MW312.41 g/mol
LogP4.55
Rot. Bonds7

About N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline

N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline (PubChem CID 110504984) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
PubChem CID110504984
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
SMILESCCCOc1c(/C=N/Nc2ccc(C)c(C)c2)cccc1OC
InChIInChI=1S/C19H24N2O2/c1-5-11-23-19-16(7-6-8-18(19)22-4)13-20-21-17-10-9-14(2)15(3)12-17/h6-10,12-13,21H,5,11H2,1-4H3/b20-13+
InChIKeyGSEDKBVJIYBJBX-DEDYPNTBSA-N
XLogP4.55
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110839989
3-chloro-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842416
3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505013
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
CID 169383267
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline (CID 110504984) is N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline is CCCOc1c(/C=N/Nc2ccc(C)c(C)c2)cccc1OC.
What is the InChIKey of N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline?
The InChIKey is GSEDKBVJIYBJBX-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-11-23-19-16(7-6-8-18(19)22-4)13-20-21-17-10-9-14(2)15(3)12-17/h6-10,12-13,21H,5,11H2,1-4H3/b20-13+.
What are the key properties of N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline?
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline has a molecular weight of 312.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110504984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).