2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride

C8H10Br3ClN2O — CID 171236025

IUPAC2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
SMILESCl.NC[C@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C8H9Br3N2O.ClH/c9-3-1-4(10)8(14)7(11)6(3)5(13)2-12;/h1,5,14H,2,12-13H2;1H/t5-;/m0./s1
InChIKeyJIYFOCGYWJPLGW-JEDNCBNOSA-N
MW425.35 g/mol
LogP3.06
Rot. Bonds2

About 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride

2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride (PubChem CID 171236025) has the molecular formula C8H10Br3ClN2O and a molecular weight of 425.35 g/mol. Its IUPAC name is 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
PubChem CID171236025
Molecular FormulaC8H10Br3ClN2O
Molecular Weight425.35 g/mol
Exact Mass421.80
IUPAC Name2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
SMILESCl.NC[C@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C8H9Br3N2O.ClH/c9-3-1-4(10)8(14)7(11)6(3)5(13)2-12;/h1,5,14H,2,12-13H2;1H/t5-;/m0./s1
InChIKeyJIYFOCGYWJPLGW-JEDNCBNOSA-N
XLogP3.06
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tribromo-3-[(1S)-1,4-diaminobutyl]phenol
CID 171236028
2,4,6-tribromo-3-[(1R)-1,5-diaminopentyl]phenol
CID 171216396
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
3-[(1S)-1-aminobutyl]-2,4,6-tribromophenol
CID 131342741
3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
CID 131325612
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
methyl (3S)-3-amino-3-(2,4,6-tribromo-3-hydroxyphenyl)propanoate;hydrochloride
CID 171245090
3,5-dibromo-2-[(1S)-1,2-diaminoethyl]phenol;hydrochloride
CID 171256229
3-[(1R)-1-aminoprop-2-enyl]-2,4,6-tribromophenol;hydrochloride
CID 171216400
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
CID 171251836

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
The IUPAC name of 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride (CID 171236025) is 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride.
What is the SMILES notation for 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
The canonical SMILES for 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride is Cl.NC[C@H](N)c1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
The InChIKey is JIYFOCGYWJPLGW-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9Br3N2O.ClH/c9-3-1-4(10)8(14)7(11)6(3)5(13)2-12;/h1,5,14H,2,12-13H2;1H/t5-;/m0./s1.
What are the key properties of 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride has a molecular weight of 425.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride is sourced from PubChem (CID 171236025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).