(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride

C8H10BrClFNO — CID 171201244

IUPAC(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFNO.ClH/c9-7-3-5(10)1-2-6(7)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyMOTGMKOXPKTCQL-DDWIOCJRSA-N
MW270.53 g/mol
LogP2.00
Rot. Bonds2

About (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride (PubChem CID 171201244) has the molecular formula C8H10BrClFNO and a molecular weight of 270.53 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
PubChem CID171201244
Molecular FormulaC8H10BrClFNO
Molecular Weight270.53 g/mol
Exact Mass268.96
IUPAC Name(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFNO.ClH/c9-7-3-5(10)1-2-6(7)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyMOTGMKOXPKTCQL-DDWIOCJRSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.53
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-1-amine
CID 105004259
ethyl (3S)-3-amino-3-(2-bromo-4-fluorophenyl)propanoate;hydrochloride
CID 171220782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride (CID 171201244) is (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1ccc(F)cc1Br.
What is the InChIKey of (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride?
The InChIKey is MOTGMKOXPKTCQL-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9BrFNO.ClH/c9-7-3-5(10)1-2-6(7)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride has a molecular weight of 270.53 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171201244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).