[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid

C15H18NO3P — CID 4834993

IUPAC[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
SMILESNC(c1ccc(O)cc1)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C15H18NO3P/c16-15(13-6-8-14(17)9-7-13)20(18,19)11-10-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2,(H,18,19)
InChIKeyMRXPNQGIGBFFCW-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.86
Rot. Bonds5

About [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid

[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid (PubChem CID 4834993) has the molecular formula C15H18NO3P and a molecular weight of 291.29 g/mol. Its IUPAC name is [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
PubChem CID4834993
Molecular FormulaC15H18NO3P
Molecular Weight291.29 g/mol
Exact Mass291.10
IUPAC Name[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
SMILESNC(c1ccc(O)cc1)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C15H18NO3P/c16-15(13-6-8-14(17)9-7-13)20(18,19)11-10-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2,(H,18,19)
InChIKeyMRXPNQGIGBFFCW-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
[(1S)-1-(benzylamino)-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949709
2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
[amino-(4-phenylphenyl)methyl]phosphonic acid
CID 4568933
(2R)-2-aminopentanedioic acid;3-(4-hydroxyphenyl)propanoic acid;2-phenylethanamine
CID 67111402
(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid
CID 166771339
4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
[(benzylamino)-(4-hydroxy-3-methoxyphenyl)methyl]-(2-phenylethyl)phosphinic acid
CID 4898785

Frequently Asked Questions

What is the IUPAC name of [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid?
The IUPAC name of [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid (CID 4834993) is [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid.
What is the SMILES notation for [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid?
The canonical SMILES for [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid is NC(c1ccc(O)cc1)P(=O)(O)CCc1ccccc1.
What is the InChIKey of [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid?
The InChIKey is MRXPNQGIGBFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO3P/c16-15(13-6-8-14(17)9-7-13)20(18,19)11-10-12-4-2-1-3-5-12/h1-9,15,17H,10-11,16H2,(H,18,19).
What are the key properties of [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid?
[amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid has a molecular weight of 291.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-hydroxyphenyl)methyl]-(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 4834993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).