(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol

C9H12BrNO2 — CID 66515457

IUPAC(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
SMILESCOc1cc(Br)ccc1[C@@H](N)CO
InChIInChI=1S/C9H12BrNO2/c1-13-9-4-6(10)2-3-7(9)8(11)5-12/h2-4,8,12H,5,11H2,1H3/t8-/m0/s1
InChIKeyIORLMMQRQVGMDV-QMMMGPOBSA-N
MW246.10 g/mol
LogP1.45
Rot. Bonds3

About (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol

(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol (PubChem CID 66515457) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
PubChem CID66515457
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
SMILESCOc1cc(Br)ccc1[C@@H](N)CO
InChIInChI=1S/C9H12BrNO2/c1-13-9-4-6(10)2-3-7(9)8(11)5-12/h2-4,8,12H,5,11H2,1H3/t8-/m0/s1
InChIKeyIORLMMQRQVGMDV-QMMMGPOBSA-N
XLogP1.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-methoxyphenyl)-5,5-dimethylhexan-1-amine
CID 114210883
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(3S)-3-amino-3-(4-bromo-2-methoxyphenyl)propanenitrile
CID 130749960
ethyl (3R)-3-amino-3-(4-bromo-2-methoxyphenyl)propanoate;hydrochloride
CID 171204821

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol (CID 66515457) is (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol is COc1cc(Br)ccc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol?
The InChIKey is IORLMMQRQVGMDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-13-9-4-6(10)2-3-7(9)8(11)5-12/h2-4,8,12H,5,11H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol?
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol has a molecular weight of 246.10 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol is sourced from PubChem (CID 66515457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).