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

C31H47NO — CID 86093718

IUPAC1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
SMILESCCCCCCCCCCCCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C31H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-23-30(24-20-28)32-27-29-21-25-31(26-22-29)33-4-2/h19-27H,3-18H2,1-2H3/b32-27+
InChIKeyRDNCRFUQGDZPDY-QVAGMWBUSA-N
MW449.72 g/mol
LogP9.86
Rot. Bonds19

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

1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine (PubChem CID 86093718) has the molecular formula C31H47NO and a molecular weight of 449.72 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
PubChem CID86093718
Molecular FormulaC31H47NO
Molecular Weight449.72 g/mol
Exact Mass449.37
IUPAC Name1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
SMILESCCCCCCCCCCCCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C31H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-23-30(24-20-28)32-27-29-21-25-31(26-22-29)33-4-2/h19-27H,3-18H2,1-2H3/b32-27+
InChIKeyRDNCRFUQGDZPDY-QVAGMWBUSA-N
XLogP9.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.72
LogP ≤ 59.86
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'}

Analyze 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
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
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
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-hexadecylphenyl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine (CID 86093718) is 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine is CCCCCCCCCCCCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine?
The InChIKey is RDNCRFUQGDZPDY-QVAGMWBUSA-N. The full InChI is InChI=1S/C31H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-23-30(24-20-28)32-27-29-21-25-31(26-22-29)33-4-2/h19-27H,3-18H2,1-2H3/b32-27+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine?
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine has a molecular weight of 449.72 g/mol, XLogP of 9.86, 19 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-hexadecylphenyl)methanimine is sourced from PubChem (CID 86093718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).