(1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine

C22H24NOP — CID 100962231

IUPAC(1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine
SMILESC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NOP/c1-19(20-11-5-2-6-12-20)23-17-18-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/t19-/m0/s1
InChIKeyIHVHDIATWRAJLA-IBGZPJMESA-N
MW349.41 g/mol
LogP4.35
Rot. Bonds7

About (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine

(1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine (PubChem CID 100962231) has the molecular formula C22H24NOP and a molecular weight of 349.41 g/mol. Its IUPAC name is (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine
PubChem CID100962231
Molecular FormulaC22H24NOP
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name(1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine
SMILESC[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NOP/c1-19(20-11-5-2-6-12-20)23-17-18-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/t19-/m0/s1
InChIKeyIHVHDIATWRAJLA-IBGZPJMESA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine?
The IUPAC name of (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine (CID 100962231) is (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine is C[C@H](NCCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine?
The InChIKey is IHVHDIATWRAJLA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24NOP/c1-19(20-11-5-2-6-12-20)23-17-18-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine?
(1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine has a molecular weight of 349.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-diphenylphosphorylethyl)-1-phenylethanamine is sourced from PubChem (CID 100962231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).