(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol

C11H15BrFNO — CID 131321140

IUPAC(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,6-15)10(14)8-5-7(13)3-4-9(8)12/h3-5,10,15H,6,14H2,1-2H3/t10-/m0/s1
InChIKeyIYPCAIYSSKGASX-JTQLQIEISA-N
MW276.15 g/mol
LogP2.61
Rot. Bonds3

About (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 131321140) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID131321140
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-11(2,6-15)10(14)8-5-7(13)3-4-9(8)12/h3-5,10,15H,6,14H2,1-2H3/t10-/m0/s1
InChIKeyIYPCAIYSSKGASX-JTQLQIEISA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-fluorophenol;hydrochloride
CID 171239147
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
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253683
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-2-fluorophenol;hydrochloride
CID 171256275
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-2,3-difluorophenol
CID 171257945
methyl (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropanoate
CID 171247255
(1S)-1-(2-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311553
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(3R)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247088
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 131513048

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol (CID 131321140) is (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(CO)[C@@H](N)c1cc(F)ccc1Br.
What is the InChIKey of (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is IYPCAIYSSKGASX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,6-15)10(14)8-5-7(13)3-4-9(8)12/h3-5,10,15H,6,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 131321140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).