[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid

C19H26NO2P — CID 949709

IUPAC[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid
SMILESCC(C)[C@@H](NCc1ccccc1)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C19H26NO2P/c1-16(2)19(20-15-18-11-7-4-8-12-18)23(21,22)14-13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyJOJGDPRZXONZIQ-IBGZPJMESA-N
MW331.40 g/mol
LogP4.27
Rot. Bonds8

About [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid

[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid (PubChem CID 949709) has the molecular formula C19H26NO2P and a molecular weight of 331.40 g/mol. Its IUPAC name is [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid
PubChem CID949709
Molecular FormulaC19H26NO2P
Molecular Weight331.40 g/mol
Exact Mass331.17
IUPAC Name[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid
SMILESCC(C)[C@@H](NCc1ccccc1)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C19H26NO2P/c1-16(2)19(20-15-18-11-7-4-8-12-18)23(21,22)14-13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyJOJGDPRZXONZIQ-IBGZPJMESA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-hydroxy-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949317
[(benzylamino)-(4-hydroxy-3-methoxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
CID 4898785
[1-(benzylamino)-2,2-dimethylpropyl]phosphonic acid
CID 130623996
3-[[(S)-(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 7079116
3-[[(benzylamino)-phenylmethyl]-hydroxyphosphoryl]propanoic acid
CID 3460999
3-[hydroxy(2-phenylethyl)phosphoryl]-2-methylpropanoic acid
CID 46213969
[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
CID 950630
[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
CID 4834993
(2S)-2-(benzylamino)-3-methylbutanethioic S-acid
CID 102042242
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid?
The IUPAC name of [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid (CID 949709) is [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid.
What is the SMILES notation for [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid?
The canonical SMILES for [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid is CC(C)[C@@H](NCc1ccccc1)P(=O)(O)CCc1ccccc1.
What is the InChIKey of [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid?
The InChIKey is JOJGDPRZXONZIQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26NO2P/c1-16(2)19(20-15-18-11-7-4-8-12-18)23(21,22)14-13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid?
[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid has a molecular weight of 331.40 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 949709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).