N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline

C18H22N2O2 — CID 169382210

IUPACN-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(C=NNc2ccccc2)cc1OCC
InChIInChI=1S/C18H22N2O2/c1-3-12-22-17-11-10-15(13-18(17)21-4-2)14-19-20-16-8-6-5-7-9-16/h5-11,13-14,20H,3-4,12H2,1-2H3
InChIKeyUPIVDNDOKIWMRV-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.32
Rot. Bonds8

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

N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline (PubChem CID 169382210) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
PubChem CID169382210
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(C=NNc2ccccc2)cc1OCC
InChIInChI=1S/C18H22N2O2/c1-3-12-22-17-11-10-15(13-18(17)21-4-2)14-19-20-16-8-6-5-7-9-16/h5-11,13-14,20H,3-4,12H2,1-2H3
InChIKeyUPIVDNDOKIWMRV-UHFFFAOYSA-N
XLogP4.32
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.32
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-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
N-[(3,4-difluoro-5-propoxyphenyl)methylideneamino]aniline
CID 169381912
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
4-[(2Z)-2-[(4-methoxy-3-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9012910
N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842266
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-chloro-4-methylaniline
CID 110506495
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000
ethyl 4-[[2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetyl]amino]benzoate
CID 169383326

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline (CID 169382210) is N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline is CCCOc1ccc(C=NNc2ccccc2)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
The InChIKey is UPIVDNDOKIWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-12-22-17-11-10-15(13-18(17)21-4-2)14-19-20-16-8-6-5-7-9-16/h5-11,13-14,20H,3-4,12H2,1-2H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline?
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline has a molecular weight of 298.39 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169382210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).