N-benzyl-1-(4-methylphenyl)ethanimine

C16H17N — CID 12868988

IUPACN-benzyl-1-(4-methylphenyl)ethanimine
SMILESC/C(=N\Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H17N/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3/b17-14+
InChIKeyASVNPTBPWVMTAF-SAPNQHFASA-N
MW223.32 g/mol
LogP4.00
Rot. Bonds3

About N-benzyl-1-(4-methylphenyl)ethanimine

N-benzyl-1-(4-methylphenyl)ethanimine (PubChem CID 12868988) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-benzyl-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-benzyl-1-(4-methylphenyl)ethanimine
PubChem CID12868988
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-benzyl-1-(4-methylphenyl)ethanimine
SMILESC/C(=N\Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H17N/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3/b17-14+
InChIKeyASVNPTBPWVMTAF-SAPNQHFASA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.00
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-benzyl-1-(4-methylphenyl)ethanimine?
The IUPAC name of N-benzyl-1-(4-methylphenyl)ethanimine (CID 12868988) is N-benzyl-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for N-benzyl-1-(4-methylphenyl)ethanimine?
The canonical SMILES for N-benzyl-1-(4-methylphenyl)ethanimine is C/C(=N\Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-1-(4-methylphenyl)ethanimine?
The InChIKey is ASVNPTBPWVMTAF-SAPNQHFASA-N. The full InChI is InChI=1S/C16H17N/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3/b17-14+.
What are the key properties of N-benzyl-1-(4-methylphenyl)ethanimine?
N-benzyl-1-(4-methylphenyl)ethanimine has a molecular weight of 223.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 12868988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).