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

C20H25NO2 — CID 71354191

IUPAC1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
SMILESCCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-5-6-15-23-20-13-9-18(10-14-20)21-16-17-7-11-19(12-8-17)22-4-2/h7-14,16H,3-6,15H2,1-2H3/b21-16+
InChIKeyUHSAFRVYXXKFKO-LTGZKZEYSA-N
MW311.43 g/mol
LogP5.40
Rot. Bonds9

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

1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine (PubChem CID 71354191) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
PubChem CID71354191
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
SMILESCCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-5-6-15-23-20-13-9-18(10-14-20)21-16-17-7-11-19(12-8-17)22-4-2/h7-14,16H,3-6,15H2,1-2H3/b21-16+
InChIKeyUHSAFRVYXXKFKO-LTGZKZEYSA-N
XLogP5.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine (CID 71354191) is 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine is CCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
The InChIKey is UHSAFRVYXXKFKO-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-5-6-15-23-20-13-9-18(10-14-20)21-16-17-7-11-19(12-8-17)22-4-2/h7-14,16H,3-6,15H2,1-2H3/b21-16+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine has a molecular weight of 311.43 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine is sourced from PubChem (CID 71354191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).