N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline

C17H20N2O2 — CID 110337885

IUPACN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(/C=N/Nc2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O2/c1-3-11-21-16-10-9-14(12-17(16)20-2)13-18-19-15-7-5-4-6-8-15/h4-10,12-13,19H,3,11H2,1-2H3/b18-13+
InChIKeyUUXDMXAEDZGDQZ-QGOAFFKASA-N
MW284.36 g/mol
LogP3.93
Rot. Bonds7

About N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline

N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline (PubChem CID 110337885) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
PubChem CID110337885
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(/C=N/Nc2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O2/c1-3-11-21-16-10-9-14(12-17(16)20-2)13-18-19-15-7-5-4-6-8-15/h4-10,12-13,19H,3,11H2,1-2H3/b18-13+
InChIKeyUUXDMXAEDZGDQZ-QGOAFFKASA-N
XLogP3.93
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.93
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

N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9012910
N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169382491
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506441
N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
CID 169381912
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110504876
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline (CID 110337885) is N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline is CCCOc1ccc(/C=N/Nc2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline?
The InChIKey is UUXDMXAEDZGDQZ-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11-21-16-10-9-14(12-17(16)20-2)13-18-19-15-7-5-4-6-8-15/h4-10,12-13,19H,3,11H2,1-2H3/b18-13+.
What are the key properties of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline?
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline has a molecular weight of 284.36 g/mol, XLogP of 3.93, 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-4-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110337885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).