N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine

C17H19N — CID 139964738

IUPACN-[1-(4-methylphenyl)ethyl]-2-phenylethanimine
SMILESCc1ccc(C(C)/N=C/Cc2ccccc2)cc1
InChIInChI=1S/C17H19N/c1-14-8-10-17(11-9-14)15(2)18-13-12-16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3/b18-13+
InChIKeyYWLMCIOQPMVQDN-QGOAFFKASA-N
MW237.35 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine

N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine (PubChem CID 139964738) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-2-phenylethanimine
PubChem CID139964738
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-[1-(4-methylphenyl)ethyl]-2-phenylethanimine
SMILESCc1ccc(C(C)/N=C/Cc2ccccc2)cc1
InChIInChI=1S/C17H19N/c1-14-8-10-17(11-9-14)15(2)18-13-12-16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3/b18-13+
InChIKeyYWLMCIOQPMVQDN-QGOAFFKASA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.37
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-[1-(4-methylphenyl)ethyl]-2-phenylethanimine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine (CID 139964738) is N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine is Cc1ccc(C(C)/N=C/Cc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine?
The InChIKey is YWLMCIOQPMVQDN-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19N/c1-14-8-10-17(11-9-14)15(2)18-13-12-16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3/b18-13+.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine?
N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine has a molecular weight of 237.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-2-phenylethanimine is sourced from PubChem (CID 139964738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).