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

C23H26NO3P — CID 134877831

IUPAC[[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid
SMILESCOC[C@H](NC(c1ccccc1C)P(=O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO3P/c1-18-11-9-10-16-21(18)23(28(25,26)20-14-7-4-8-15-20)24-22(17-27-2)19-12-5-3-6-13-19/h3-16,22-24H,17H2,1-2H3,(H,25,26)/t22-,23?/m0/s1
InChIKeySCBHWRUIVFFZNE-NQCNTLBGSA-N
MW395.44 g/mol
LogP4.57
Rot. Bonds8

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

[[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid (PubChem CID 134877831) has the molecular formula C23H26NO3P and a molecular weight of 395.44 g/mol. Its IUPAC name is [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid.

Molecular Properties

Compound Name[[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid
PubChem CID134877831
Molecular FormulaC23H26NO3P
Molecular Weight395.44 g/mol
Exact Mass395.17
IUPAC Name[[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid
SMILESCOC[C@H](NC(c1ccccc1C)P(=O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO3P/c1-18-11-9-10-16-21(18)23(28(25,26)20-14-7-4-8-15-20)24-22(17-27-2)19-12-5-3-6-13-19/h3-16,22-24H,17H2,1-2H3,(H,25,26)/t22-,23?/m0/s1
InChIKeySCBHWRUIVFFZNE-NQCNTLBGSA-N
XLogP4.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-methylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]-phenylphosphinic acid
CID 101246303
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid
CID 15309993
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
1-[ethoxy(phenyl)phosphoryl]-N-[(1S)-2-methoxy-1-phenylethyl]-3-methylbutan-1-amine
CID 101246300
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261

Frequently Asked Questions

What is the IUPAC name of [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid?
The IUPAC name of [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid (CID 134877831) is [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid.
What is the SMILES notation for [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid?
The canonical SMILES for [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid is COC[C@H](NC(c1ccccc1C)P(=O)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid?
The InChIKey is SCBHWRUIVFFZNE-NQCNTLBGSA-N. The full InChI is InChI=1S/C23H26NO3P/c1-18-11-9-10-16-21(18)23(28(25,26)20-14-7-4-8-15-20)24-22(17-27-2)19-12-5-3-6-13-19/h3-16,22-24H,17H2,1-2H3,(H,25,26)/t22-,23?/m0/s1.
What are the key properties of [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid?
[[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid has a molecular weight of 395.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(1R)-2-methoxy-1-phenylethyl]amino]-(2-methylphenyl)methyl]-phenylphosphinic acid is sourced from PubChem (CID 134877831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).