1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine

C14H13N — CID 118155655

IUPAC1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine
SMILES[2H]/C(=N\c1ccccc1C)c1ccccc1
InChIInChI=1S/C14H13N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-11H,1H3/b15-11+/i11D
InChIKeyPUUAIRXOPHLROM-IFDBVSLKSA-N
MW196.27 g/mol
LogP3.75
Rot. Bonds2

About 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine

1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine (PubChem CID 118155655) has the molecular formula C14H13N and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine
PubChem CID118155655
Molecular FormulaC14H13N
Molecular Weight196.27 g/mol
Exact Mass196.11
IUPAC Name1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine
SMILES[2H]/C(=N\c1ccccc1C)c1ccccc1
InChIInChI=1S/C14H13N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-11H,1H3/b15-11+/i11D
InChIKeyPUUAIRXOPHLROM-IFDBVSLKSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine (CID 118155655) is 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine is [2H]/C(=N\c1ccccc1C)c1ccccc1.
What is the InChIKey of 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine?
The InChIKey is PUUAIRXOPHLROM-IFDBVSLKSA-N. The full InChI is InChI=1S/C14H13N/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-11H,1H3/b15-11+/i11D.
What are the key properties of 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine?
1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine has a molecular weight of 196.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-N-(2-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 118155655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).