2-diphenylphosphorylethanamine

C14H16NOP — CID 71361076

IUPAC2-diphenylphosphorylethanamine
SMILESNCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NOP/c15-11-12-17(16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,15H2
InChIKeyPMLNXYWXKMFYII-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.96
Rot. Bonds4

About 2-diphenylphosphorylethanamine

2-diphenylphosphorylethanamine (PubChem CID 71361076) has the molecular formula C14H16NOP and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-diphenylphosphorylethanamine.

Molecular Properties

Compound Name2-diphenylphosphorylethanamine
PubChem CID71361076
Molecular FormulaC14H16NOP
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-diphenylphosphorylethanamine
SMILESNCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NOP/c15-11-12-17(16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,15H2
InChIKeyPMLNXYWXKMFYII-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 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 ≤ 51.96
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
Bis(3-aminopropyl)phenylphosphine
CID 138827
(2S)-1-(Diphenylphosphanyl)-3-methylbutan-2-amine
CID 15145880
N-diphenylphosphorylcyclohexanamine
CID 246893
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
(2-Aminoethyl)diphenylphosphine
CID 273264
(1S,2S)-2-(Diphenylphosphino)cyclohexanamine
CID 11166389
2-(Diphenylphosphanyl)ethan-1-aminium tetrafluoroborate
CID 71463643
3-Aminopropyl(phenyl)phosphinic acid
CID 10104206
(Diphenyl-phosphinoyl)-acetonitrile
CID 1542448
1-Aminoethyl(phenyl)phosphinic acid
CID 4290894

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylethanamine?
The IUPAC name of 2-diphenylphosphorylethanamine (CID 71361076) is 2-diphenylphosphorylethanamine.
What is the SMILES notation for 2-diphenylphosphorylethanamine?
The canonical SMILES for 2-diphenylphosphorylethanamine is NCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylethanamine?
The InChIKey is PMLNXYWXKMFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NOP/c15-11-12-17(16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,15H2.
What are the key properties of 2-diphenylphosphorylethanamine?
2-diphenylphosphorylethanamine has a molecular weight of 245.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylethanamine is sourced from PubChem (CID 71361076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).