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

C16H19ClFNO — CID 171267965

IUPAC(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)Cc1ccccc1.Cl
InChIInChI=1S/C16H18FNO.ClH/c1-11-7-8-13(17)10-14(11)16(18)15(19)9-12-5-3-2-4-6-12;/h2-8,10,15-16,19H,9,18H2,1H3;1H/t15-,16+;/m1./s1
InChIKeyOFMIUPJLVRCEQQ-RCPFAERMSA-N
MW295.78 g/mol
LogP3.16
Rot. Bonds4

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

(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171267965) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171267965
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCc1ccc(F)cc1[C@H](N)[C@H](O)Cc1ccccc1.Cl
InChIInChI=1S/C16H18FNO.ClH/c1-11-7-8-13(17)10-14(11)16(18)15(19)9-12-5-3-2-4-6-12;/h2-8,10,15-16,19H,9,18H2,1H3;1H/t15-,16+;/m1./s1
InChIKeyOFMIUPJLVRCEQQ-RCPFAERMSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 171261843
(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
CID 171262225
(1R,2S)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263833
(1R,2S)-1-amino-1-(5-fluoro-2-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262733
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171267965) is (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride is Cc1ccc(F)cc1[C@H](N)[C@H](O)Cc1ccccc1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is OFMIUPJLVRCEQQ-RCPFAERMSA-N. The full InChI is InChI=1S/C16H18FNO.ClH/c1-11-7-8-13(17)10-14(11)16(18)15(19)9-12-5-3-2-4-6-12;/h2-8,10,15-16,19H,9,18H2,1H3;1H/t15-,16+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 295.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171267965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).