4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride

C11H16Br2ClNO2 — CID 171239556

IUPAC4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
SMILESCC(C)(CO)[C@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C11H15Br2NO2.ClH/c1-11(2,5-15)10(14)6-3-7(12)9(16)8(13)4-6;/h3-4,10,15-16H,5,14H2,1-2H3;1H/t10-;/m1./s1
InChIKeySYSDMDYYFAKUBS-HNCPQSOCSA-N
MW389.52 g/mol
LogP3.36
Rot. Bonds3

About 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride

4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride (PubChem CID 171239556) has the molecular formula C11H16Br2ClNO2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
PubChem CID171239556
Molecular FormulaC11H16Br2ClNO2
Molecular Weight389.52 g/mol
Exact Mass386.92
IUPAC Name4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
SMILESCC(C)(CO)[C@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C11H15Br2NO2.ClH/c1-11(2,5-15)10(14)6-3-7(12)9(16)8(13)4-6;/h3-4,10,15-16H,5,14H2,1-2H3;1H/t10-;/m1./s1
InChIKeySYSDMDYYFAKUBS-HNCPQSOCSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
CID 131427430
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253683
(3R)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240426
(3S)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247688
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-chlorophenol
CID 131620451
(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
CID 131396220
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
CID 171247568
3-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
CID 171240853
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2,6-dibromophenol
CID 66510459
6-amino-2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromophenol;hydrochloride
CID 171253088

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride (CID 171239556) is 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride is CC(C)(CO)[C@H](N)c1cc(Br)c(O)c(Br)c1.Cl.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
The InChIKey is SYSDMDYYFAKUBS-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15Br2NO2.ClH/c1-11(2,5-15)10(14)6-3-7(12)9(16)8(13)4-6;/h3-4,10,15-16H,5,14H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride has a molecular weight of 389.52 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171239556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).