(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine

C19H21FN2 — CID 19368295

IUPAC(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C19H21FN2/c1-3-4-5-16-10-11-18(19(20)12-16)14-22-21-13-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3/b21-13+,22-14+
InChIKeyUQPCAEIXTPMPLD-JFMUQQRKSA-N
MW296.39 g/mol
LogP4.93
Rot. Bonds6

About (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine

(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine (PubChem CID 19368295) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
PubChem CID19368295
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C19H21FN2/c1-3-4-5-16-10-11-18(19(20)12-16)14-22-21-13-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3/b21-13+,22-14+
InChIKeyUQPCAEIXTPMPLD-JFMUQQRKSA-N
XLogP4.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.93
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'}

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Related Compounds

N-[(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54528266
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
(E)-N-[(E)-(4-ethyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368641
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 19368380
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
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
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54221747

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine (CID 19368295) is (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine is CCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)c(F)c1.
What is the InChIKey of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The InChIKey is UQPCAEIXTPMPLD-JFMUQQRKSA-N. The full InChI is InChI=1S/C19H21FN2/c1-3-4-5-16-10-11-18(19(20)12-16)14-22-21-13-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3/b21-13+,22-14+.
What are the key properties of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine has a molecular weight of 296.39 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 19368295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).