1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine

C21H27NO — CID 4065401

IUPAC1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
SMILESCCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H27NO/c1-3-5-6-7-8-18-9-13-20(14-10-18)22-17-19-11-15-21(16-12-19)23-4-2/h9-17H,3-8H2,1-2H3/b22-17+
InChIKeyATRVTFBOCUFZBR-OQKWZONESA-N
MW309.45 g/mol
LogP5.96
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine

1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine (PubChem CID 4065401) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
PubChem CID4065401
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
SMILESCCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H27NO/c1-3-5-6-7-8-18-9-13-20(14-10-18)22-17-19-11-15-21(16-12-19)23-4-2/h9-17H,3-8H2,1-2H3/b22-17+
InChIKeyATRVTFBOCUFZBR-OQKWZONESA-N
XLogP5.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine (CID 4065401) is 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine is CCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine?
The InChIKey is ATRVTFBOCUFZBR-OQKWZONESA-N. The full InChI is InChI=1S/C21H27NO/c1-3-5-6-7-8-18-9-13-20(14-10-18)22-17-19-11-15-21(16-12-19)23-4-2/h9-17H,3-8H2,1-2H3/b22-17+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine?
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine has a molecular weight of 309.45 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine is sourced from PubChem (CID 4065401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).