2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol

C15H17NO2 — CID 171261356

IUPAC2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
SMILESN[C@H](c1ccccc1O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H17NO2/c16-15(12-8-4-5-9-13(12)17)14(18)10-11-6-2-1-3-7-11/h1-9,14-15,17-18H,10,16H2/t14-,15+/m0/s1
InChIKeyNCIGETVVLCMRCJ-LSDHHAIUSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds4

About 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol

2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol (PubChem CID 171261356) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
PubChem CID171261356
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
SMILESN[C@H](c1ccccc1O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H17NO2/c16-15(12-8-4-5-9-13(12)17)14(18)10-11-6-2-1-3-7-11/h1-9,14-15,17-18H,10,16H2/t14-,15+/m0/s1
InChIKeyNCIGETVVLCMRCJ-LSDHHAIUSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,4-diol;hydrochloride
CID 171261394
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol
CID 171266479
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-6-methoxyphenol;hydrochloride
CID 171270288
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945
(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269826
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
CID 171271661
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
CID 171265996
(1R,2S)-1-amino-1-(2,5-dibromophenyl)-3-phenylpropan-2-ol
CID 171265782

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol?
The IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol (CID 171261356) is 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol is N[C@H](c1ccccc1O)[C@@H](O)Cc1ccccc1.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol?
The InChIKey is NCIGETVVLCMRCJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H17NO2/c16-15(12-8-4-5-9-13(12)17)14(18)10-11-6-2-1-3-7-11/h1-9,14-15,17-18H,10,16H2/t14-,15+/m0/s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol?
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol is sourced from PubChem (CID 171261356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).