4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride

C10H14Br2ClNO3 — CID 171265810

IUPAC4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)[C@H](C)O)c(Br)c(Br)c1O.Cl
InChIInChI=1S/C10H13Br2NO3.ClH/c1-4(14)9(13)5-3-6(16-2)10(15)8(12)7(5)11;/h3-4,9,14-15H,13H2,1-2H3;1H/t4-,9-;/m0./s1
InChIKeyCEWBGOMKICDIEZ-IIYZCIMBSA-N
MW391.49 g/mol
LogP2.73
Rot. Bonds3

About 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride (PubChem CID 171265810) has the molecular formula C10H14Br2ClNO3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
PubChem CID171265810
Molecular FormulaC10H14Br2ClNO3
Molecular Weight391.49 g/mol
Exact Mass388.90
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)[C@H](C)O)c(Br)c(Br)c1O.Cl
InChIInChI=1S/C10H13Br2NO3.ClH/c1-4(14)9(13)5-3-6(16-2)10(15)8(12)7(5)11;/h3-4,9,14-15H,13H2,1-2H3;1H/t4-,9-;/m0./s1
InChIKeyCEWBGOMKICDIEZ-IIYZCIMBSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-2-methylbutyl]-2,3-dibromo-6-methoxyphenol
CID 171235148
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-bromo-6-methoxyphenol
CID 131422660
4-[(1S)-1-amino-3-methylbutyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235124
4-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2,3-dibromo-6-methoxyphenol
CID 171265815
4-[(1R)-1-amino-3,3-difluoropropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171313994
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
4-(1-amino-3-hydroxypropyl)-2,3-dibromo-6-methoxyphenol
CID 170874488
4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
CID 171235131
4-[(1S)-1-aminobut-3-enyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235118
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171215506
(3R)-3-amino-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)propanenitrile
CID 131471017
4-[(R)-amino(oxan-4-yl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171251537

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride (CID 171265810) is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride is COc1cc([C@@H](N)[C@H](C)O)c(Br)c(Br)c1O.Cl.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
The InChIKey is CEWBGOMKICDIEZ-IIYZCIMBSA-N. The full InChI is InChI=1S/C10H13Br2NO3.ClH/c1-4(14)9(13)5-3-6(16-2)10(15)8(12)7(5)11;/h3-4,9,14-15H,13H2,1-2H3;1H/t4-,9-;/m0./s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride?
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride has a molecular weight of 391.49 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,3-dibromo-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171265810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).