2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol

C11H16BrNO3 — CID 58644855

IUPAC2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)C(C)N)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3
InChIKeyYLLHAHHNKOUOSR-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.85
Rot. Bonds4

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

2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol (PubChem CID 58644855) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
PubChem CID58644855
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)C(C)N)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3
InChIKeyYLLHAHHNKOUOSR-UHFFFAOYSA-N
XLogP1.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171265464
(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
CID 10042912
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
(1S,2R)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171271146

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol (CID 58644855) is 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol is COc1cc(C(O)C(C)N)c(OC)cc1Br.
What is the InChIKey of 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is YLLHAHHNKOUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3.
What are the key properties of 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol?
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 290.16 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 58644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).