N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine

C23H23NO — CID 11209688

IUPACN-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine
SMILESC=CC(ON(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-2-23(22-16-10-5-11-17-22)25-24(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h2-17,23H,1,18-19H2
InChIKeyQOKPLLCDUJFAND-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.55
Rot. Bonds8

About N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine

N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine (PubChem CID 11209688) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine
PubChem CID11209688
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine
SMILESC=CC(ON(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-2-23(22-16-10-5-11-17-22)25-24(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h2-17,23H,1,18-19H2
InChIKeyQOKPLLCDUJFAND-UHFFFAOYSA-N
XLogP5.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine 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 N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine?
The IUPAC name of N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine (CID 11209688) is N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine.
What is the SMILES notation for N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine?
The canonical SMILES for N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine is C=CC(ON(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine?
The InChIKey is QOKPLLCDUJFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-23(22-16-10-5-11-17-22)25-24(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h2-17,23H,1,18-19H2.
What are the key properties of N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine?
N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine has a molecular weight of 329.44 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine is sourced from PubChem (CID 11209688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).