[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid

C22H24NO2P — CID 101246303

IUPAC[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid
SMILESCc1ccccc1C(N[C@@H](C)c1ccccc1)P(=O)(O)c1ccccc1
InChIInChI=1S/C22H24NO2P/c1-17-11-9-10-16-21(17)22(23-18(2)19-12-5-3-6-13-19)26(24,25)20-14-7-4-8-15-20/h3-16,18,22-23H,1-2H3,(H,24,25)/t18-,22?/m0/s1
InChIKeyIUFSEIBLHIRVDK-HXBUSHRASA-N
MW365.41 g/mol
LogP4.94
Rot. Bonds6

About [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid

[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid (PubChem CID 101246303) has the molecular formula C22H24NO2P and a molecular weight of 365.41 g/mol. Its IUPAC name is [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid.

Molecular Properties

Compound Name[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid
PubChem CID101246303
Molecular FormulaC22H24NO2P
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid
SMILESCc1ccccc1C(N[C@@H](C)c1ccccc1)P(=O)(O)c1ccccc1
InChIInChI=1S/C22H24NO2P/c1-17-11-9-10-16-21(17)22(23-18(2)19-12-5-3-6-13-19)26(24,25)20-14-7-4-8-15-20/h3-16,18,22-23H,1-2H3,(H,24,25)/t18-,22?/m0/s1
InChIKeyIUFSEIBLHIRVDK-HXBUSHRASA-N
XLogP4.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid
CID 134877831
2-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 69037711
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
1-(methylamino)ethyl-phenylphosphinic acid
CID 12596027
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
CID 73235896
[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523

Frequently Asked Questions

What is the IUPAC name of [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid?
The IUPAC name of [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid (CID 101246303) is [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid.
What is the SMILES notation for [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid?
The canonical SMILES for [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid is Cc1ccccc1C(N[C@@H](C)c1ccccc1)P(=O)(O)c1ccccc1.
What is the InChIKey of [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid?
The InChIKey is IUFSEIBLHIRVDK-HXBUSHRASA-N. The full InChI is InChI=1S/C22H24NO2P/c1-17-11-9-10-16-21(17)22(23-18(2)19-12-5-3-6-13-19)26(24,25)20-14-7-4-8-15-20/h3-16,18,22-23H,1-2H3,(H,24,25)/t18-,22?/m0/s1.
What are the key properties of [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid?
[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid has a molecular weight of 365.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid is sourced from PubChem (CID 101246303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).