(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride

C15H16ClF2NO — CID 171262339

IUPAC(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(F)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15F2NO.ClH/c16-12-7-11(8-13(17)9-12)15(18)14(19)6-10-4-2-1-3-5-10;/h1-5,7-9,14-15,19H,6,18H2;1H/t14-,15+;/m0./s1
InChIKeyYIIXZNLFWGGGMI-LDXVYITESA-N
MW299.75 g/mol
LogP2.99
Rot. Bonds4

About (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171262339) has the molecular formula C15H16ClF2NO and a molecular weight of 299.75 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171262339
Molecular FormulaC15H16ClF2NO
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(F)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15F2NO.ClH/c16-12-7-11(8-13(17)9-12)15(18)14(19)6-10-4-2-1-3-5-10;/h1-5,7-9,14-15,19H,6,18H2;1H/t14-,15+;/m0./s1
InChIKeyYIIXZNLFWGGGMI-LDXVYITESA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227
(1R,2S)-1-amino-1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 171261843
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272
(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-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267965
(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 171269901

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171262339) is (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride is Cl.N[C@H](c1cc(F)cc(F)c1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is YIIXZNLFWGGGMI-LDXVYITESA-N. The full InChI is InChI=1S/C15H15F2NO.ClH/c16-12-7-11(8-13(17)9-12)15(18)14(19)6-10-4-2-1-3-5-10;/h1-5,7-9,14-15,19H,6,18H2;1H/t14-,15+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 299.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171262339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).