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

C31H47NO2 — CID 102390426

IUPAC1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C31H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31-24-20-29(21-25-31)32-27-28-18-22-30(23-19-28)33-4-2/h18-25,27H,3-17,26H2,1-2H3/b32-27+
InChIKeySMWZJAARUXOMSI-QVAGMWBUSA-N
MW465.72 g/mol
LogP9.70
Rot. Bonds20

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

1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine (PubChem CID 102390426) has the molecular formula C31H47NO2 and a molecular weight of 465.72 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
PubChem CID102390426
Molecular FormulaC31H47NO2
Molecular Weight465.72 g/mol
Exact Mass465.36
IUPAC Name1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C31H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31-24-20-29(21-25-31)32-27-28-18-22-30(23-19-28)33-4-2/h18-25,27H,3-17,26H2,1-2H3/b32-27+
InChIKeySMWZJAARUXOMSI-QVAGMWBUSA-N
XLogP9.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.72
LogP ≤ 59.70
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-pentoxyphenyl)methanimine
CID 71354191
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine (CID 102390426) is 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine is CCCCCCCCCCCCCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine?
The InChIKey is SMWZJAARUXOMSI-QVAGMWBUSA-N. The full InChI is InChI=1S/C31H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31-24-20-29(21-25-31)32-27-28-18-22-30(23-19-28)33-4-2/h18-25,27H,3-17,26H2,1-2H3/b32-27+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine?
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine has a molecular weight of 465.72 g/mol, XLogP of 9.70, 20 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-hexadecoxyphenyl)methanimine is sourced from PubChem (CID 102390426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).