3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride

C8H11BrClNO2 — CID 171203542

IUPAC3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
SMILESCl.N[C@H](CO)c1cc(O)ccc1Br
InChIInChI=1S/C8H10BrNO2.ClH/c9-7-2-1-5(12)3-6(7)8(10)4-11;/h1-3,8,11-12H,4,10H2;1H/t8-;/m1./s1
InChIKeyOXHKDIFTOQWZRO-DDWIOCJRSA-N
MW268.54 g/mol
LogP1.57
Rot. Bonds2

About 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride

3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride (PubChem CID 171203542) has the molecular formula C8H11BrClNO2 and a molecular weight of 268.54 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
PubChem CID171203542
Molecular FormulaC8H11BrClNO2
Molecular Weight268.54 g/mol
Exact Mass266.97
IUPAC Name3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
SMILESCl.N[C@H](CO)c1cc(O)ccc1Br
InChIInChI=1S/C8H10BrNO2.ClH/c9-7-2-1-5(12)3-6(7)8(10)4-11;/h1-3,8,11-12H,4,10H2;1H/t8-;/m1./s1
InChIKeyOXHKDIFTOQWZRO-DDWIOCJRSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.54
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-[(1S)-1-amino-3-fluoropropyl]-4-bromophenol;hydrochloride
CID 171223095
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanenitrile;hydrochloride
CID 171259937
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
CID 171203537
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
3-[(1S)-1-aminopentyl]-4-bromophenol
CID 171223086
(1R)-1-(2-bromo-5-hydroxyphenyl)ethane-1,2-diol
CID 130649535
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride?
The IUPAC name of 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride (CID 171203542) is 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride?
The canonical SMILES for 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride is Cl.N[C@H](CO)c1cc(O)ccc1Br.
What is the InChIKey of 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride?
The InChIKey is OXHKDIFTOQWZRO-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H10BrNO2.ClH/c9-7-2-1-5(12)3-6(7)8(10)4-11;/h1-3,8,11-12H,4,10H2;1H/t8-;/m1./s1.
What are the key properties of 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride?
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride has a molecular weight of 268.54 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride is sourced from PubChem (CID 171203542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).