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

C23H23NO — CID 71367718

IUPACN-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
SMILESCCCCc1ccc(/N=C/c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-3-7-19-10-14-21(15-11-19)24-18-20-12-16-23(17-13-20)25-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7H2,1H3/b24-18+
InChIKeyIQKZXESDWOWZBA-HKOYGPOVSA-N
MW329.44 g/mol
LogP6.57
Rot. Bonds7

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

N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine (PubChem CID 71367718) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
PubChem CID71367718
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
SMILESCCCCc1ccc(/N=C/c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO/c1-2-3-7-19-10-14-21(15-11-19)24-18-20-12-16-23(17-13-20)25-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7H2,1H3/b24-18+
InChIKeyIQKZXESDWOWZBA-HKOYGPOVSA-N
XLogP6.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
bis[3-[4-[(4-butylphenyl)iminomethyl]phenoxy]propyl] benzene-1,2-dicarboxylate
CID 102065143
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
4-(4-butylphenoxy)benzaldehyde
CID 10824839

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine (CID 71367718) is N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine is CCCCc1ccc(/N=C/c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine?
The InChIKey is IQKZXESDWOWZBA-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-3-7-19-10-14-21(15-11-19)24-18-20-12-16-23(17-13-20)25-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7H2,1H3/b24-18+.
What are the key properties of N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine?
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine has a molecular weight of 329.44 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 71367718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).