2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol

C11H16BrNO3 — CID 103376821

IUPAC2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
SMILESCOc1ccc(Br)cc1C(CN)OCCO
InChIInChI=1S/C11H16BrNO3/c1-15-10-3-2-8(12)6-9(10)11(7-13)16-5-4-14/h2-3,6,11,14H,4-5,7,13H2,1H3
InChIKeyYOLNSGMGPXQMRW-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol

2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol (PubChem CID 103376821) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
PubChem CID103376821
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
SMILESCOc1ccc(Br)cc1C(CN)OCCO
InChIInChI=1S/C11H16BrNO3/c1-15-10-3-2-8(12)6-9(10)11(7-13)16-5-4-14/h2-3,6,11,14H,4-5,7,13H2,1H3
InChIKeyYOLNSGMGPXQMRW-UHFFFAOYSA-N
XLogP1.47
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
3-[2-amino-1-(2,4,5-trimethoxyphenyl)ethoxy]propan-1-ol
CID 103377357
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol
CID 129227461
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
CID 103376772
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81059414

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol?
The IUPAC name of 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol (CID 103376821) is 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol?
The canonical SMILES for 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol is COc1ccc(Br)cc1C(CN)OCCO.
What is the InChIKey of 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol?
The InChIKey is YOLNSGMGPXQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-15-10-3-2-8(12)6-9(10)11(7-13)16-5-4-14/h2-3,6,11,14H,4-5,7,13H2,1H3.
What are the key properties of 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol?
2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol has a molecular weight of 290.16 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol is sourced from PubChem (CID 103376821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).