(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol

C10H14BrNO3 — CID 66515834

IUPAC(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc([C@H](N)CO)cc(OC)c1Br
InChIInChI=1S/C10H14BrNO3/c1-14-8-3-6(7(12)5-13)4-9(15-2)10(8)11/h3-4,7,13H,5,12H2,1-2H3/t7-/m1/s1
InChIKeyWZSYOPRQUQABOA-SSDOTTSWSA-N
MW276.13 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol

(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol (PubChem CID 66515834) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
PubChem CID66515834
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc([C@H](N)CO)cc(OC)c1Br
InChIInChI=1S/C10H14BrNO3/c1-14-8-3-6(7(12)5-13)4-9(15-2)10(8)11/h3-4,7,13H,5,12H2,1-2H3/t7-/m1/s1
InChIKeyWZSYOPRQUQABOA-SSDOTTSWSA-N
XLogP1.46
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)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

(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
(3R)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240426
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propanenitrile
CID 171259907
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine
CID 69291505
(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171240430
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240418

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol (CID 66515834) is (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol is COc1cc([C@H](N)CO)cc(OC)c1Br.
What is the InChIKey of (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol?
The InChIKey is WZSYOPRQUQABOA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-14-8-3-6(7(12)5-13)4-9(15-2)10(8)11/h3-4,7,13H,5,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol?
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol has a molecular weight of 276.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 66515834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).