4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride

C9H13BrClNO2 — CID 171262231

IUPAC4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1ccc(O)c(Br)c1.Cl
InChIInChI=1S/C9H12BrNO2.ClH/c1-5(12)9(11)6-2-3-8(13)7(10)4-6;/h2-5,9,12-13H,11H2,1H3;1H/t5-,9-;/m0./s1
InChIKeyZUKHLXODJJIBAE-WFZUHFMFSA-N
MW282.57 g/mol
LogP1.96
Rot. Bonds2

About 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride (PubChem CID 171262231) has the molecular formula C9H13BrClNO2 and a molecular weight of 282.57 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
PubChem CID171262231
Molecular FormulaC9H13BrClNO2
Molecular Weight282.57 g/mol
Exact Mass280.98
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1ccc(O)c(Br)c1.Cl
InChIInChI=1S/C9H12BrNO2.ClH/c1-5(12)9(11)6-2-3-8(13)7(10)4-6;/h2-5,9,12-13H,11H2,1H3;1H/t5-,9-;/m0./s1
InChIKeyZUKHLXODJJIBAE-WFZUHFMFSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
ethyl (3S)-3-amino-3-(3-bromo-4-hydroxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171247823
4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride (CID 171262231) is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride is C[C@H](O)[C@H](N)c1ccc(O)c(Br)c1.Cl.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride?
The InChIKey is ZUKHLXODJJIBAE-WFZUHFMFSA-N. The full InChI is InChI=1S/C9H12BrNO2.ClH/c1-5(12)9(11)6-2-3-8(13)7(10)4-6;/h2-5,9,12-13H,11H2,1H3;1H/t5-,9-;/m0./s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride?
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride has a molecular weight of 282.57 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride is sourced from PubChem (CID 171262231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).