(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol

C10H14BrNO2 — CID 66515336

IUPAC(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
SMILESCCOc1ccc(Br)cc1[C@@H](N)CO
InChIInChI=1S/C10H14BrNO2/c1-2-14-10-4-3-7(11)5-8(10)9(12)6-13/h3-5,9,13H,2,6,12H2,1H3/t9-/m0/s1
InChIKeyHFQQFGIGCOZQGG-VIFPVBQESA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol

(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol (PubChem CID 66515336) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
PubChem CID66515336
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
SMILESCCOc1ccc(Br)cc1[C@@H](N)CO
InChIInChI=1S/C10H14BrNO2/c1-2-14-10-4-3-7(11)5-8(10)9(12)6-13/h3-5,9,13H,2,6,12H2,1H3/t9-/m0/s1
InChIKeyHFQQFGIGCOZQGG-VIFPVBQESA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
(3R)-3-amino-3-(5-bromo-2-ethoxyphenyl)propanenitrile;hydrochloride
CID 171260462
(3S)-3-amino-3-(5-bromo-2-ethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241804
(1S)-1-(5-bromo-2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171226083
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056
ethyl 5-amino-5-(5-bromo-2-ethoxyphenyl)-3-methylpentanoate
CID 62942372
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171262942

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol (CID 66515336) is (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol is CCOc1ccc(Br)cc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol?
The InChIKey is HFQQFGIGCOZQGG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-2-14-10-4-3-7(11)5-8(10)9(12)6-13/h3-5,9,13H,2,6,12H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol?
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol has a molecular weight of 260.13 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol is sourced from PubChem (CID 66515336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).