1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine

C30H33FN2 — CID 173276645

IUPAC1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
SMILESC=CCCCCCc1ccc(C=NN=C(c2ccccc2)c2ccc(CC(C)F)cc2)cc1
InChIInChI=1S/C30H33FN2/c1-3-4-5-6-8-11-25-14-16-27(17-15-25)23-32-33-30(28-12-9-7-10-13-28)29-20-18-26(19-21-29)22-24(2)31/h3,7,9-10,12-21,23-24H,1,4-6,8,11,22H2,2H3
InChIKeyLFRXGIUZAIFPTK-UHFFFAOYSA-N
MW440.61 g/mol
LogP7.75
Rot. Bonds12

About 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine

1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine (PubChem CID 173276645) has the molecular formula C30H33FN2 and a molecular weight of 440.61 g/mol. Its IUPAC name is 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine.

Molecular Properties

Compound Name1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
PubChem CID173276645
Molecular FormulaC30H33FN2
Molecular Weight440.61 g/mol
Exact Mass440.26
IUPAC Name1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
SMILESC=CCCCCCc1ccc(C=NN=C(c2ccccc2)c2ccc(CC(C)F)cc2)cc1
InChIInChI=1S/C30H33FN2/c1-3-4-5-6-8-11-25-14-16-27(17-15-25)23-32-33-30(28-12-9-7-10-13-28)29-20-18-26(19-21-29)22-24(2)31/h3,7,9-10,12-21,23-24H,1,4-6,8,11,22H2,2H3
InChIKeyLFRXGIUZAIFPTK-UHFFFAOYSA-N
XLogP7.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 57.75
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(3-fluorobutyl)phenyl]-1-phenylmethanimine
CID 54005916
N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine
CID 173276692
N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
CID 173276365
hept-6-enylbenzene
CID 15608161
N-[(4-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 4618251
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344
1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine
CID 173276736
4-[(benzhydrylidenehydrazinylidene)methyl]benzoic acid
CID 2495897
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
CID 54210289
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
1-fluoro-4-non-8-enylbenzene
CID 57222789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine?
The IUPAC name of 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine (CID 173276645) is 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine.
What is the SMILES notation for 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine?
The canonical SMILES for 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine is C=CCCCCCc1ccc(C=NN=C(c2ccccc2)c2ccc(CC(C)F)cc2)cc1.
What is the InChIKey of 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine?
The InChIKey is LFRXGIUZAIFPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2/c1-3-4-5-6-8-11-25-14-16-27(17-15-25)23-32-33-30(28-12-9-7-10-13-28)29-20-18-26(19-21-29)22-24(2)31/h3,7,9-10,12-21,23-24H,1,4-6,8,11,22H2,2H3.
What are the key properties of 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine?
1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine has a molecular weight of 440.61 g/mol, XLogP of 7.75, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine is sourced from PubChem (CID 173276645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).