N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine

C18H24NOP — CID 15502817

IUPACN-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-18(2,3)19-14-15-21(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,14-15H2,1-3H3
InChIKeyZWWIPPMAKQIPQH-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.39
Rot. Bonds5

About N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine

N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine (PubChem CID 15502817) has the molecular formula C18H24NOP and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine
PubChem CID15502817
Molecular FormulaC18H24NOP
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-18(2,3)19-14-15-21(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,14-15H2,1-3H3
InChIKeyZWWIPPMAKQIPQH-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-diphenylphosphorylethyl)-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-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine (CID 15502817) is N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine is CC(C)(C)NCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine?
The InChIKey is ZWWIPPMAKQIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NOP/c1-18(2,3)19-14-15-21(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,14-15H2,1-3H3.
What are the key properties of N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine?
N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphorylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 15502817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).