N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine

C20H25NO — CID 91741362

IUPACN-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine
SMILESCCCCOc1ccc(/N=C(\C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H25NO/c1-4-6-15-22-20-13-11-19(12-14-20)21-16(3)18-9-7-17(5-2)8-10-18/h7-14H,4-6,15H2,1-3H3/b21-16+
InChIKeyCKQQGVFNDWZOAR-LTGZKZEYSA-N
MW295.43 g/mol
LogP5.57
Rot. Bonds7

About N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine

N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine (PubChem CID 91741362) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine
PubChem CID91741362
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine
SMILESCCCCOc1ccc(/N=C(\C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C20H25NO/c1-4-6-15-22-20-13-11-19(12-14-20)21-16(3)18-9-7-17(5-2)8-10-18/h7-14H,4-6,15H2,1-3H3/b21-16+
InChIKeyCKQQGVFNDWZOAR-LTGZKZEYSA-N
XLogP5.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.57
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

N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
5-(4-ethylphenyl)-2-[N-(4-hexoxyphenyl)-C-methylcarbonimidoyl]phenol
CID 136870928
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
1,2-bis(4-butoxyphenyl)guanidine;hydrobromide
CID 22675707
(4-ethylphenyl) 4-hexoxybenzoate
CID 23011413
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
1-(4-butoxyphenyl)-2-(4-ethylphenyl)hydrazine
CID 177145678
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
propyl 4-butoxybenzoate
CID 43389566
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-pentoxybenzoate
CID 177411555
[4-(4-ethylphenyl)phenyl] 4-hexoxybenzoate
CID 3769000

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine?
The IUPAC name of N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine (CID 91741362) is N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine.
What is the SMILES notation for N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine?
The canonical SMILES for N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine is CCCCOc1ccc(/N=C(\C)c2ccc(CC)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine?
The InChIKey is CKQQGVFNDWZOAR-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-6-15-22-20-13-11-19(12-14-20)21-16(3)18-9-7-17(5-2)8-10-18/h7-14H,4-6,15H2,1-3H3/b21-16+.
What are the key properties of N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine?
N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine has a molecular weight of 295.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-1-(4-ethylphenyl)ethanimine is sourced from PubChem (CID 91741362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).