1-diphenylphosphoryl-N-methylmethanamine

C14H16NOP — CID 11128563

IUPAC1-diphenylphosphoryl-N-methylmethanamine
SMILESCNCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NOP/c1-15-12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyYNTQQUDRGYWUSP-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.18
Rot. Bonds4

About 1-diphenylphosphoryl-N-methylmethanamine

1-diphenylphosphoryl-N-methylmethanamine (PubChem CID 11128563) has the molecular formula C14H16NOP and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-diphenylphosphoryl-N-methylmethanamine.

Molecular Properties

Compound Name1-diphenylphosphoryl-N-methylmethanamine
PubChem CID11128563
Molecular FormulaC14H16NOP
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name1-diphenylphosphoryl-N-methylmethanamine
SMILESCNCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NOP/c1-15-12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyYNTQQUDRGYWUSP-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-diphenylphosphoryl-N-methylmethanamine 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-diphenylphosphoryl-N-methylmethanamine?
The IUPAC name of 1-diphenylphosphoryl-N-methylmethanamine (CID 11128563) is 1-diphenylphosphoryl-N-methylmethanamine.
What is the SMILES notation for 1-diphenylphosphoryl-N-methylmethanamine?
The canonical SMILES for 1-diphenylphosphoryl-N-methylmethanamine is CNCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-N-methylmethanamine?
The InChIKey is YNTQQUDRGYWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NOP/c1-15-12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 1-diphenylphosphoryl-N-methylmethanamine?
1-diphenylphosphoryl-N-methylmethanamine has a molecular weight of 245.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-N-methylmethanamine is sourced from PubChem (CID 11128563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).