2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol

C10H14BrNO3 — CID 84714352

IUPAC2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(O)CN)cc1Br
InChIInChI=1S/C10H14BrNO3/c1-14-9-4-10(15-2)7(11)3-6(9)8(13)5-12/h3-4,8,13H,5,12H2,1-2H3
InChIKeyTXQWVPYMUWLWPX-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol

2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol (PubChem CID 84714352) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
PubChem CID84714352
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(O)CN)cc1Br
InChIInChI=1S/C10H14BrNO3/c1-14-9-4-10(15-2)7(11)3-6(9)8(13)5-12/h3-4,8,13H,5,12H2,1-2H3
InChIKeyTXQWVPYMUWLWPX-UHFFFAOYSA-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

(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
2-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369699
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
1-(4-bromo-2,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 105057029
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol (CID 84714352) is 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol is COc1cc(OC)c(C(O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol?
The InChIKey is TXQWVPYMUWLWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-14-9-4-10(15-2)7(11)3-6(9)8(13)5-12/h3-4,8,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol?
2-amino-1-(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 2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 84714352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).