(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride

C9H13ClFNO — CID 91810279

IUPAC(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO.ClH/c10-9-3-1-7(2-4-9)8(5-11)6-12;/h1-4,8,12H,5-6,11H2;1H/t8-;/m0./s1
InChIKeyFSZUYBZAYQGQDE-QRPNPIFTSA-N
MW205.66 g/mol
LogP1.28
Rot. Bonds3

About (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride

(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 91810279) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID91810279
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO.ClH/c10-9-3-1-7(2-4-9)8(5-11)6-12;/h1-4,8,12H,5-6,11H2;1H/t8-;/m0./s1
InChIKeyFSZUYBZAYQGQDE-QRPNPIFTSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
3-(dimethylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244762
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-(4-fluorophenyl)hexan-1-amine
CID 79442321

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride (CID 91810279) is (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride is Cl.NC[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is FSZUYBZAYQGQDE-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c10-9-3-1-7(2-4-9)8(5-11)6-12;/h1-4,8,12H,5-6,11H2;1H/t8-;/m0./s1.
What are the key properties of (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride?
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 91810279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).