N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine

C19H23N — CID 4617166

IUPACN-(4-butylphenyl)-1-(4-ethylphenyl)methanimine
SMILESCCCCc1ccc(/N=C/c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H23N/c1-3-5-6-17-11-13-19(14-12-17)20-15-18-9-7-16(4-2)8-10-18/h7-15H,3-6H2,1-2H3/b20-15+
InChIKeyCCVAGMKEDZKRLC-HMMYKYKNSA-N
MW265.40 g/mol
LogP5.34
Rot. Bonds6

About N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine

N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine (PubChem CID 4617166) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(4-ethylphenyl)methanimine
PubChem CID4617166
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-(4-butylphenyl)-1-(4-ethylphenyl)methanimine
SMILESCCCCc1ccc(/N=C/c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H23N/c1-3-5-6-17-11-13-19(14-12-17)20-15-18-9-7-16(4-2)8-10-18/h7-15H,3-6H2,1-2H3/b20-15+
InChIKeyCCVAGMKEDZKRLC-HMMYKYKNSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine (CID 4617166) is N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine is CCCCc1ccc(/N=C/c2ccc(CC)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine?
The InChIKey is CCVAGMKEDZKRLC-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N/c1-3-5-6-17-11-13-19(14-12-17)20-15-18-9-7-16(4-2)8-10-18/h7-15H,3-6H2,1-2H3/b20-15+.
What are the key properties of N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine?
N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine has a molecular weight of 265.40 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(4-ethylphenyl)methanimine is sourced from PubChem (CID 4617166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).