N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine

C27H29FN2 — CID 70190968

IUPACN-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine
SMILESCCCCCc1ccc(-c2ccc(C=NN=Cc3ccccc3CC)cc2F)cc1
InChIInChI=1S/C27H29FN2/c1-3-5-6-9-21-12-15-24(16-13-21)26-17-14-22(18-27(26)28)19-29-30-20-25-11-8-7-10-23(25)4-2/h7-8,10-20H,3-6,9H2,1-2H3
InChIKeyVEKCJAVDWSIPCV-UHFFFAOYSA-N
MW400.54 g/mol
LogP7.24
Rot. Bonds9

About N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine

N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine (PubChem CID 70190968) has the molecular formula C27H29FN2 and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine
PubChem CID70190968
Molecular FormulaC27H29FN2
Molecular Weight400.54 g/mol
Exact Mass400.23
IUPAC NameN-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine
SMILESCCCCCc1ccc(-c2ccc(C=NN=Cc3ccccc3CC)cc2F)cc1
InChIInChI=1S/C27H29FN2/c1-3-5-6-9-21-12-15-24(16-13-21)26-17-14-22(18-27(26)28)19-29-30-20-25-11-8-7-10-23(25)4-2/h7-8,10-20H,3-6,9H2,1-2H3
InChIKeyVEKCJAVDWSIPCV-UHFFFAOYSA-N
XLogP7.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 57.24
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine
CID 70188686
1-[3-fluoro-4-(4-pentylphenyl)phenyl]-N-[(2-hex-5-enylphenyl)methylideneamino]methanimine
CID 70188436
N-[(2-but-3-enylphenyl)methylideneamino]-1-[3-fluoro-4-(4-heptylphenyl)phenyl]methanimine
CID 70188653
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hept-6-enylphenyl)methylideneamino]methanimine
CID 70191067
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine?
The IUPAC name of N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine (CID 70190968) is N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine.
What is the SMILES notation for N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine?
The canonical SMILES for N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine is CCCCCc1ccc(-c2ccc(C=NN=Cc3ccccc3CC)cc2F)cc1.
What is the InChIKey of N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine?
The InChIKey is VEKCJAVDWSIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2/c1-3-5-6-9-21-12-15-24(16-13-21)26-17-14-22(18-27(26)28)19-29-30-20-25-11-8-7-10-23(25)4-2/h7-8,10-20H,3-6,9H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine?
N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine has a molecular weight of 400.54 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine is sourced from PubChem (CID 70190968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).