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

C10H14BrNO3 — CID 66516031

IUPAC(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@H](N)CO)cc1Br
InChIInChI=1S/C10H14BrNO3/c1-14-9-4-10(15-2)7(11)3-6(9)8(12)5-13/h3-4,8,13H,5,12H2,1-2H3/t8-/m1/s1
InChIKeyDWOOSHUSULVSAB-MRVPVSSYSA-N
MW276.13 g/mol
LogP1.46
Rot. Bonds4

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

(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol (PubChem CID 66516031) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
PubChem CID66516031
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@H](N)CO)cc1Br
InChIInChI=1S/C10H14BrNO3/c1-14-9-4-10(15-2)7(11)3-6(9)8(12)5-13/h3-4,8,13H,5,12H2,1-2H3/t8-/m1/s1
InChIKeyDWOOSHUSULVSAB-MRVPVSSYSA-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

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Related Compounds

2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol (CID 66516031) is (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol is COc1cc(OC)c([C@H](N)CO)cc1Br.
What is the InChIKey of (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol?
The InChIKey is DWOOSHUSULVSAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-14-9-4-10(15-2)7(11)3-6(9)8(12)5-13/h3-4,8,13H,5,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol?
(2S)-2-amino-2-(5-bromo-2,4-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-(5-bromo-2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 66516031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).