2-diphenylphosphoryl-N-methylethanamine

C15H18NOP — CID 3272265

IUPAC2-diphenylphosphoryl-N-methylethanamine
SMILESCNCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOP/c1-16-12-13-18(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyFCZOFQBYUKOKGE-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.22
Rot. Bonds5

About 2-diphenylphosphoryl-N-methylethanamine

2-diphenylphosphoryl-N-methylethanamine (PubChem CID 3272265) has the molecular formula C15H18NOP and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-methylethanamine.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-methylethanamine
PubChem CID3272265
Molecular FormulaC15H18NOP
Molecular Weight259.29 g/mol
Exact Mass259.11
IUPAC Name2-diphenylphosphoryl-N-methylethanamine
SMILESCNCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NOP/c1-16-12-13-18(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyFCZOFQBYUKOKGE-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Diphenylphosphino)-1-propylamine
CID 280677
2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
(2-Aminoethyl)diphenylphosphine
CID 273264
N-butyl-N-[(diphenylphosphoryl)methyl]-1-butanamine
CID 2251614
(2S,3S)-3-diphenylphosphoryl-2-methylaziridine-2-carbonitrile
CID 155518760
N,N-Dimethyl-P,P-diphenylphosphinic amide
CID 426131
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655
Stk377126
CID 3722461
4-Phenyl-1,4lambda5-azaphosphinan-4-one
CID 57925957
4-Phenyl-1,4lambda5-azaphosphinan-4-one hydrochloride
CID 66832472

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-methylethanamine?
The IUPAC name of 2-diphenylphosphoryl-N-methylethanamine (CID 3272265) is 2-diphenylphosphoryl-N-methylethanamine.
What is the SMILES notation for 2-diphenylphosphoryl-N-methylethanamine?
The canonical SMILES for 2-diphenylphosphoryl-N-methylethanamine is CNCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-methylethanamine?
The InChIKey is FCZOFQBYUKOKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NOP/c1-16-12-13-18(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3.
What are the key properties of 2-diphenylphosphoryl-N-methylethanamine?
2-diphenylphosphoryl-N-methylethanamine has a molecular weight of 259.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-methylethanamine is sourced from PubChem (CID 3272265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).