N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine

C16H17NO — CID 163930392

IUPACN-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine
SMILESC/C=N/Cc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO/c1-3-17-12-14-6-10-16(11-7-14)18-15-8-4-13(2)5-9-15/h3-11H,12H2,1-2H3/b17-3+
InChIKeyRIEQJEBXLMXSRN-IJUHEHPCSA-N
MW239.32 g/mol
LogP4.38
Rot. Bonds4

About N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine

N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine (PubChem CID 163930392) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine.

Molecular Properties

Compound NameN-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine
PubChem CID163930392
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine
SMILESC/C=N/Cc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO/c1-3-17-12-14-6-10-16(11-7-14)18-15-8-4-13(2)5-9-15/h3-11H,12H2,1-2H3/b17-3+
InChIKeyRIEQJEBXLMXSRN-IJUHEHPCSA-N
XLogP4.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methylphenoxy)phenyl]methyl]ethanimine?
The IUPAC name of N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine (CID 163930392) is N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine.
What is the SMILES notation for N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine?
The canonical SMILES for N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine is C/C=N/Cc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine?
The InChIKey is RIEQJEBXLMXSRN-IJUHEHPCSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-17-12-14-6-10-16(11-7-14)18-15-8-4-13(2)5-9-15/h3-11H,12H2,1-2H3/b17-3+.
What are the key properties of N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine?
N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine has a molecular weight of 239.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine is sourced from PubChem (CID 163930392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).