1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine

C18H19N — CID 67639601

IUPAC1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
SMILESC=CCCc1ccc(/C=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N/c1-3-4-5-16-8-10-17(11-9-16)14-19-18-12-6-15(2)7-13-18/h3,6-14H,1,4-5H2,2H3/b19-14+
InChIKeyAFBVPVCVFPWMFY-XMHGGMMESA-N
MW249.36 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine

1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine (PubChem CID 67639601) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
PubChem CID67639601
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
SMILESC=CCCc1ccc(/C=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N/c1-3-4-5-16-8-10-17(11-9-16)14-19-18-12-6-15(2)7-13-18/h3,6-14H,1,4-5H2,2H3/b19-14+
InChIKeyAFBVPVCVFPWMFY-XMHGGMMESA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
CID 139780637
1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
CID 139780766
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
CID 139780617
1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
CID 54281249
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
CID 19780599
but-3-enylbenzene;penta-1,4-diene;1,4-xylene
CID 145097362
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine (CID 67639601) is 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine is C=CCCc1ccc(/C=N/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is AFBVPVCVFPWMFY-XMHGGMMESA-N. The full InChI is InChI=1S/C18H19N/c1-3-4-5-16-8-10-17(11-9-16)14-19-18-12-6-15(2)7-13-18/h3,6-14H,1,4-5H2,2H3/b19-14+.
What are the key properties of 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine?
1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine has a molecular weight of 249.36 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 67639601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).