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

C31H47NO — CID 2753474

IUPACN-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1
InChIInChI=1S/C31H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-33-31-24-20-29(21-25-31)27-32-30-22-18-28(4-2)19-23-30/h18-25,27H,3-17,26H2,1-2H3/b32-27+
InChIKeyTWGHYOAJUKDFII-QVAGMWBUSA-N
MW449.72 g/mol
LogP9.86
Rot. Bonds19

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

N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine (PubChem CID 2753474) has the molecular formula C31H47NO and a molecular weight of 449.72 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
PubChem CID2753474
Molecular FormulaC31H47NO
Molecular Weight449.72 g/mol
Exact Mass449.37
IUPAC NameN-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1
InChIInChI=1S/C31H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-33-31-24-20-29(21-25-31)27-32-30-22-18-28(4-2)19-23-30/h18-25,27H,3-17,26H2,1-2H3/b32-27+
InChIKeyTWGHYOAJUKDFII-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 N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)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-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
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-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
[4-[[4-[4-[(4-decoxyphenyl)iminomethyl]benzoyl]oxyphenyl]methyl]phenyl] 4-[(4-decoxyphenyl)iminomethyl]benzoate
CID 102596585

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine?
The IUPAC name of N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine (CID 2753474) is N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine is CCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine?
The InChIKey is TWGHYOAJUKDFII-QVAGMWBUSA-N. The full InChI is InChI=1S/C31H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26-33-31-24-20-29(21-25-31)27-32-30-22-18-28(4-2)19-23-30/h18-25,27H,3-17,26H2,1-2H3/b32-27+.
What are the key properties of N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine?
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)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 N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine is sourced from PubChem (CID 2753474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).