N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine

C20H23FN2 — CID 54117379

IUPACN-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCc1ccc(C=NN=Cc2ccc(CCC)c(F)c2)cc1
InChIInChI=1S/C20H23FN2/c1-3-5-16-7-9-17(10-8-16)14-22-23-15-18-11-12-19(6-4-2)20(21)13-18/h7-15H,3-6H2,1-2H3
InChIKeyNLGSVYRHFIHECX-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.18
Rot. Bonds7

About N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine

N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine (PubChem CID 54117379) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine.

Molecular Properties

Compound NameN-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
PubChem CID54117379
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC NameN-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCc1ccc(C=NN=Cc2ccc(CCC)c(F)c2)cc1
InChIInChI=1S/C20H23FN2/c1-3-5-16-7-9-17(10-8-16)14-22-23-15-18-11-12-19(6-4-2)20(21)13-18/h7-15H,3-6H2,1-2H3
InChIKeyNLGSVYRHFIHECX-UHFFFAOYSA-N
XLogP5.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 54079690
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 19368938
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
1-(3,4-difluorophenyl)-N-[(2,6-difluoro-4-propylphenyl)methylideneamino]methanimine
CID 54401420
3-fluoro-4-propylbenzaldehyde
CID 88903432
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
N-[(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54528266
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The IUPAC name of N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine (CID 54117379) is N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine.
What is the SMILES notation for N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The canonical SMILES for N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine is CCCc1ccc(C=NN=Cc2ccc(CCC)c(F)c2)cc1.
What is the InChIKey of N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The InChIKey is NLGSVYRHFIHECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-3-5-16-7-9-17(10-8-16)14-22-23-15-18-11-12-19(6-4-2)20(21)13-18/h7-15H,3-6H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine has a molecular weight of 310.42 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine is sourced from PubChem (CID 54117379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).