(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol

C9H11Br2NO2 — CID 66516252

IUPAC(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
SMILESCOc1c(Br)cc([C@@H](N)CO)cc1Br
InChIInChI=1S/C9H11Br2NO2/c1-14-9-6(10)2-5(3-7(9)11)8(12)4-13/h2-3,8,13H,4,12H2,1H3/t8-/m0/s1
InChIKeyVRYLZUSPHMTZMG-QMMMGPOBSA-N
MW325.00 g/mol
LogP2.21
Rot. Bonds3

About (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol

(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol (PubChem CID 66516252) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
PubChem CID66516252
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
SMILESCOc1c(Br)cc([C@@H](N)CO)cc1Br
InChIInChI=1S/C9H11Br2NO2/c1-14-9-6(10)2-5(3-7(9)11)8(12)4-13/h2-3,8,13H,4,12H2,1H3/t8-/m0/s1
InChIKeyVRYLZUSPHMTZMG-QMMMGPOBSA-N
XLogP2.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047
1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine
CID 170894695
3-amino-3-(3-bromo-4,5-dimethoxyphenyl)propanoate
CID 22608489
2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117499018
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117372574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol (CID 66516252) is (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol is COc1c(Br)cc([C@@H](N)CO)cc1Br.
What is the InChIKey of (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol?
The InChIKey is VRYLZUSPHMTZMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c1-14-9-6(10)2-5(3-7(9)11)8(12)4-13/h2-3,8,13H,4,12H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol?
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol has a molecular weight of 325.00 g/mol, XLogP of 2.21, 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-(3,5-dibromo-4-methoxyphenyl)ethanol is sourced from PubChem (CID 66516252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).