(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol

C21H21NO2 — CID 171263718

IUPAC(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C21H21NO2/c22-21(20(23)15-16-7-3-1-4-8-16)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-14,20-21,23H,15,22H2/t20-,21+/m0/s1
InChIKeySXKDSTRZUCIPDT-LEWJYISDSA-N
MW319.40 g/mol
LogP4.08
Rot. Bonds6

About (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol

(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol (PubChem CID 171263718) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
PubChem CID171263718
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
SMILESN[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C21H21NO2/c22-21(20(23)15-16-7-3-1-4-8-16)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-14,20-21,23H,15,22H2/t20-,21+/m0/s1
InChIKeySXKDSTRZUCIPDT-LEWJYISDSA-N
XLogP4.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
(1R,2S)-1-amino-1-(4-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260882

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol (CID 171263718) is (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol is N[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol?
The InChIKey is SXKDSTRZUCIPDT-LEWJYISDSA-N. The full InChI is InChI=1S/C21H21NO2/c22-21(20(23)15-16-7-3-1-4-8-16)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-14,20-21,23H,15,22H2/t20-,21+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol?
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol has a molecular weight of 319.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171263718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).