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

C11H17BrClNO2 — CID 171247568

IUPAC3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1cc(O)ccc1Br.Cl
InChIInChI=1S/C11H16BrNO2.ClH/c1-11(2,6-14)10(13)8-5-7(15)3-4-9(8)12;/h3-5,10,14-15H,6,13H2,1-2H3;1H/t10-;/m0./s1
InChIKeyWFQXNWRRVBOBDZ-PPHPATTJSA-N
MW310.62 g/mol
LogP2.59
Rot. Bonds3

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

3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride (PubChem CID 171247568) has the molecular formula C11H17BrClNO2 and a molecular weight of 310.62 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
PubChem CID171247568
Molecular FormulaC11H17BrClNO2
Molecular Weight310.62 g/mol
Exact Mass309.01
IUPAC Name3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1cc(O)ccc1Br.Cl
InChIInChI=1S/C11H16BrNO2.ClH/c1-11(2,6-14)10(13)8-5-7(15)3-4-9(8)12;/h3-5,10,14-15H,6,13H2,1-2H3;1H/t10-;/m0./s1
InChIKeyWFQXNWRRVBOBDZ-PPHPATTJSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride
CID 171240853
(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 131321140
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,3-diol;hydrochloride
CID 171246317
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-2-fluorophenol;hydrochloride
CID 171256275
(3R)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247088
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
methyl (3R)-3-amino-3-(2-bromo-5-hydroxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247560
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253683
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171239556
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluorophenol;hydrochloride
CID 171239147
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
CID 171246640

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride (CID 171247568) is 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride is CC(C)(CO)[C@@H](N)c1cc(O)ccc1Br.Cl.
What is the InChIKey of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride?
The InChIKey is WFQXNWRRVBOBDZ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16BrNO2.ClH/c1-11(2,6-14)10(13)8-5-7(15)3-4-9(8)12;/h3-5,10,14-15H,6,13H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride?
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride has a molecular weight of 310.62 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol;hydrochloride is sourced from PubChem (CID 171247568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).