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

C11H16Br2ClNO — CID 171246271

IUPAC4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C11H15Br2NO.ClH/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyMEKFBORSLDVZRD-PPHPATTJSA-N
MW373.52 g/mol
LogP4.38
Rot. Bonds1

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

4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride (PubChem CID 171246271) has the molecular formula C11H16Br2ClNO and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
PubChem CID171246271
Molecular FormulaC11H16Br2ClNO
Molecular Weight373.52 g/mol
Exact Mass370.93
IUPAC Name4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C11H15Br2NO.ClH/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyMEKFBORSLDVZRD-PPHPATTJSA-N
XLogP4.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171239556
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2,6-dibromophenol
CID 66510459
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
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-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
CID 130042032
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-bromo-3,4-difluorophenol
CID 131256767
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2,6-dibromophenol;hydrochloride
CID 171219523
4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride (CID 171246271) is 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride is CC(C)(C)[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl.
What is the InChIKey of 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
The InChIKey is MEKFBORSLDVZRD-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15Br2NO.ClH/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride?
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride has a molecular weight of 373.52 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171246271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).