N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine

C19H24NOP — CID 15533810

IUPACN-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine
SMILESC/C(=C\P(=O)(c1ccccc1)c1ccccc1)NC(C)(C)C
InChIInChI=1S/C19H24NOP/c1-16(20-19(2,3)4)15-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,20H,1-4H3/b16-15+
InChIKeyULZWHZQBEQJHQC-FOCLMDBBSA-N
MW313.38 g/mol
LogP4.25
Rot. Bonds4

About N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine

N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine (PubChem CID 15533810) has the molecular formula C19H24NOP and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine
PubChem CID15533810
Molecular FormulaC19H24NOP
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine
SMILESC/C(=C\P(=O)(c1ccccc1)c1ccccc1)NC(C)(C)C
InChIInChI=1S/C19H24NOP/c1-16(20-19(2,3)4)15-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,20H,1-4H3/b16-15+
InChIKeyULZWHZQBEQJHQC-FOCLMDBBSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine 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-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine?
The IUPAC name of N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine (CID 15533810) is N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine is C/C(=C\P(=O)(c1ccccc1)c1ccccc1)NC(C)(C)C.
What is the InChIKey of N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine?
The InChIKey is ULZWHZQBEQJHQC-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H24NOP/c1-16(20-19(2,3)4)15-22(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,20H,1-4H3/b16-15+.
What are the key properties of N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine?
N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine has a molecular weight of 313.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-diphenylphosphorylprop-1-en-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 15533810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).