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

C19H23NO2 — CID 102149823

IUPAC1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
SMILESCCCCCOc1ccc(/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-3-4-5-14-22-19-12-8-17(9-13-19)20-15-16-6-10-18(21-2)11-7-16/h6-13,15H,3-5,14H2,1-2H3/b20-15+
InChIKeyAPBOKSPYPFPHOZ-HMMYKYKNSA-N
MW297.40 g/mol
LogP5.01
Rot. Bonds8

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

1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine (PubChem CID 102149823) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
PubChem CID102149823
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
SMILESCCCCCOc1ccc(/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-3-4-5-14-22-19-12-8-17(9-13-19)20-15-16-6-10-18(21-2)11-7-16/h6-13,15H,3-5,14H2,1-2H3/b20-15+
InChIKeyAPBOKSPYPFPHOZ-HMMYKYKNSA-N
XLogP5.01
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.01
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

N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
1-[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]-N-[4-[5-[4-[[4-[3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propoxy]phenyl]methylideneamino]phenoxy]pentoxy]phenyl]methanimine
CID 101153259
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine (CID 102149823) is 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine is CCCCCOc1ccc(/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
The InChIKey is APBOKSPYPFPHOZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-4-5-14-22-19-12-8-17(9-13-19)20-15-16-6-10-18(21-2)11-7-16/h6-13,15H,3-5,14H2,1-2H3/b20-15+.
What are the key properties of 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine?
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine has a molecular weight of 297.40 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine is sourced from PubChem (CID 102149823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).