2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol

C19H26N2O2 — CID 171266479

IUPAC2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc([C@H](N)[C@H](O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C19H26N2O2/c1-3-21(4-2)15-10-11-16(17(22)13-15)19(20)18(23)12-14-8-6-5-7-9-14/h5-11,13,18-19,22-23H,3-4,12,20H2,1-2H3/t18-,19+/m1/s1
InChIKeyWAFUMHHGGBLWSQ-MOPGFXCFSA-N
MW314.43 g/mol
LogP2.84
Rot. Bonds7

About 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol

2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol (PubChem CID 171266479) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol
PubChem CID171266479
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc([C@H](N)[C@H](O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C19H26N2O2/c1-3-21(4-2)15-10-11-16(17(22)13-15)19(20)18(23)12-14-8-6-5-7-9-14/h5-11,13,18-19,22-23H,3-4,12,20H2,1-2H3/t18-,19+/m1/s1
InChIKeyWAFUMHHGGBLWSQ-MOPGFXCFSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
2-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-5-(diethylamino)phenol;hydrochloride
CID 171266478
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
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-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline
CID 54528925
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-[[4-(diethylamino)-2-hydroxyphenyl]-hydroxymethyl]benzoic acid
CID 91224589
2-[(1S)-1-amino-3-fluoropropyl]-5-(diethylamino)phenol;hydrochloride
CID 171217392
1-[4-(diethylamino)-2-hydroxyphenyl]-3-(methylamino)propane-1,2-diol
CID 171859206

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol (CID 171266479) is 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol is CCN(CC)c1ccc([C@H](N)[C@H](O)Cc2ccccc2)c(O)c1.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol?
The InChIKey is WAFUMHHGGBLWSQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-21(4-2)15-10-11-16(17(22)13-15)19(20)18(23)12-14-8-6-5-7-9-14/h5-11,13,18-19,22-23H,3-4,12,20H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol?
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol has a molecular weight of 314.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-5-(diethylamino)phenol is sourced from PubChem (CID 171266479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).