N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine

C22H28FNO — CID 23343872

IUPACN-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
SMILESCCCCC(CC)C/N=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO/c1-3-5-6-18(4-2)15-24-16-19-9-13-22(14-10-19)25-17-20-7-11-21(23)12-8-20/h7-14,16,18H,3-6,15,17H2,1-2H3/b24-16+
InChIKeyVMXKXMGGQWWTBN-LFVJCYFKSA-N
MW341.47 g/mol
LogP6.04
Rot. Bonds10

About N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine

N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine (PubChem CID 23343872) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
PubChem CID23343872
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC NameN-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
SMILESCCCCC(CC)C/N=C/c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO/c1-3-5-6-18(4-2)15-24-16-19-9-13-22(14-10-19)25-17-20-7-11-21(23)12-8-20/h7-14,16,18H,3-6,15,17H2,1-2H3/b24-16+
InChIKeyVMXKXMGGQWWTBN-LFVJCYFKSA-N
XLogP6.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylhexyl)-1-[4-[(3-methylphenyl)methoxy]phenyl]methanimine
CID 23343862
N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343953
1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
CID 92541995
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343925
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 101390382
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine (CID 23343872) is N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine is CCCCC(CC)C/N=C/c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The InChIKey is VMXKXMGGQWWTBN-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H28FNO/c1-3-5-6-18(4-2)15-24-16-19-9-13-22(14-10-19)25-17-20-7-11-21(23)12-8-20/h7-14,16,18H,3-6,15,17H2,1-2H3/b24-16+.
What are the key properties of N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine?
N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine has a molecular weight of 341.47 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 23343872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).