N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine

C20H22F2N2 — CID 54337056

IUPACN-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(C=NN=Cc2cc(F)c(C)c(F)c2)cc1
InChIInChI=1S/C20H22F2N2/c1-3-4-5-6-16-7-9-17(10-8-16)13-23-24-14-18-11-19(21)15(2)20(22)12-18/h7-14H,3-6H2,1-2H3
InChIKeyTWFGBSGGTSOFFN-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.46
Rot. Bonds7

About N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine

N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine (PubChem CID 54337056) has the molecular formula C20H22F2N2 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
PubChem CID54337056
Molecular FormulaC20H22F2N2
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(C=NN=Cc2cc(F)c(C)c(F)c2)cc1
InChIInChI=1S/C20H22F2N2/c1-3-4-5-6-16-7-9-17(10-8-16)13-23-24-14-18-11-19(21)15(2)20(22)12-18/h7-14H,3-6H2,1-2H3
InChIKeyTWFGBSGGTSOFFN-UHFFFAOYSA-N
XLogP5.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.46
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

(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
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)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The IUPAC name of N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine (CID 54337056) is N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine.
What is the SMILES notation for N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The canonical SMILES for N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine is CCCCCc1ccc(C=NN=Cc2cc(F)c(C)c(F)c2)cc1.
What is the InChIKey of N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The InChIKey is TWFGBSGGTSOFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2/c1-3-4-5-6-16-7-9-17(10-8-16)13-23-24-14-18-11-19(21)15(2)20(22)12-18/h7-14H,3-6H2,1-2H3.
What are the key properties of N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine has a molecular weight of 328.41 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine is sourced from PubChem (CID 54337056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).