(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one

C17H19NO2 — CID 69303201

IUPAC(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
SMILESC[C@H](NCCc1ccccc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C17H19NO2/c1-13(17(20)15-7-9-16(19)10-8-15)18-12-11-14-5-3-2-4-6-14/h2-10,13,18-19H,11-12H2,1H3/t13-/m0/s1
InChIKeyNXRYDCWHOMLQNG-ZDUSSCGKSA-N
MW269.34 g/mol
LogP2.80
Rot. Bonds6

About (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one

(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one (PubChem CID 69303201) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
PubChem CID69303201
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
SMILESC[C@H](NCCc1ccccc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C17H19NO2/c1-13(17(20)15-7-9-16(19)10-8-15)18-12-11-14-5-3-2-4-6-14/h2-10,13,18-19H,11-12H2,1H3/t13-/m0/s1
InChIKeyNXRYDCWHOMLQNG-ZDUSSCGKSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethylamino]propan-1-one;hydrate;hydrochloride
CID 3031074
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
(2R)-N-(4-acetylphenyl)-2-(2-phenylethylamino)propanamide
CID 2437197
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
2-(3-chlorobutylamino)-1-phenylpropan-1-one
CID 141202272
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one?
The IUPAC name of (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one (CID 69303201) is (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one.
What is the SMILES notation for (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one?
The canonical SMILES for (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one is C[C@H](NCCc1ccccc1)C(=O)c1ccc(O)cc1.
What is the InChIKey of (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one?
The InChIKey is NXRYDCWHOMLQNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(17(20)15-7-9-16(19)10-8-15)18-12-11-14-5-3-2-4-6-14/h2-10,13,18-19H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one?
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one has a molecular weight of 269.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one is sourced from PubChem (CID 69303201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).