N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine

C32H40N2O2 — CID 101374448

IUPACN-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
SMILESCCCCCCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCCCCCC)cc3)cc2)cc1
InChIInChI=1S/C32H40N2O2/c1-3-5-7-9-23-35-31-19-15-29(16-20-31)33-25-27-11-13-28(14-12-27)26-34-30-17-21-32(22-18-30)36-24-10-8-6-4-2/h11-22,25-26H,3-10,23-24H2,1-2H3/b33-25+,34-26+
InChIKeyHXRRIJXKEFKEJG-BCEWYCLDSA-N
MW484.68 g/mol
LogP9.11
Rot. Bonds16

About N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine

N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine (PubChem CID 101374448) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
PubChem CID101374448
Molecular FormulaC32H40N2O2
Molecular Weight484.68 g/mol
Exact Mass484.31
IUPAC NameN-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
SMILESCCCCCCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCCCCCC)cc3)cc2)cc1
InChIInChI=1S/C32H40N2O2/c1-3-5-7-9-23-35-31-19-15-29(16-20-31)33-25-27-11-13-28(14-12-27)26-34-30-17-21-32(22-18-30)36-24-10-8-6-4-2/h11-22,25-26H,3-10,23-24H2,1-2H3/b33-25+,34-26+
InChIKeyHXRRIJXKEFKEJG-BCEWYCLDSA-N
XLogP9.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methanimine
CID 86094874
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
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
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
7-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]heptyl-trimethylazanium
CID 102068165
10-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]decyl-trimethylazanium
CID 102068166

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine (CID 101374448) is N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine is CCCCCCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCCCCCC)cc3)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is HXRRIJXKEFKEJG-BCEWYCLDSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-3-5-7-9-23-35-31-19-15-29(16-20-31)33-25-27-11-13-28(14-12-27)26-34-30-17-21-32(22-18-30)36-24-10-8-6-4-2/h11-22,25-26H,3-10,23-24H2,1-2H3/b33-25+,34-26+.
What are the key properties of N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine?
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine has a molecular weight of 484.68 g/mol, XLogP of 9.11, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 101374448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).