N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline

C19H24N2O3 — CID 110505430

IUPACN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
SMILESCCCOc1c(OC)cc(/C=N/Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-5-10-24-19-17(22-3)11-15(12-18(19)23-4)13-20-21-16-8-6-14(2)7-9-16/h6-9,11-13,21H,5,10H2,1-4H3/b20-13+
InChIKeyHDAOKYSWJFMXGJ-DEDYPNTBSA-N
MW328.41 g/mol
LogP4.25
Rot. Bonds8

About N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline

N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 110505430) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
PubChem CID110505430
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
SMILESCCCOc1c(OC)cc(/C=N/Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H24N2O3/c1-5-10-24-19-17(22-3)11-15(12-18(19)23-4)13-20-21-16-8-6-14(2)7-9-16/h6-9,11-13,21H,5,10H2,1-4H3/b20-13+
InChIKeyHDAOKYSWJFMXGJ-DEDYPNTBSA-N
XLogP4.25
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
N-[(E)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110505489
N-[(Z)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-chloroaniline
CID 7971829
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110504876
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505013
4-chloro-N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506116
[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9059590
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110536776
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline (CID 110505430) is N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline is CCCOc1c(OC)cc(/C=N/Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is HDAOKYSWJFMXGJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-10-24-19-17(22-3)11-15(12-18(19)23-4)13-20-21-16-8-6-14(2)7-9-16/h6-9,11-13,21H,5,10H2,1-4H3/b20-13+.
What are the key properties of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline?
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 328.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 110505430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).