4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol

C12H18BrNO2 — CID 117465267

IUPAC4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
SMILESCNCC(O)c1cc(Br)c(C(C)C)cc1O
InChIInChI=1S/C12H18BrNO2/c1-7(2)8-5-11(15)9(4-10(8)13)12(16)6-14-3/h4-5,7,12,14-16H,6H2,1-3H3
InChIKeyORAIPLLWEKWAJL-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.53
Rot. Bonds4

About 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol

4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol (PubChem CID 117465267) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
PubChem CID117465267
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
SMILESCNCC(O)c1cc(Br)c(C(C)C)cc1O
InChIInChI=1S/C12H18BrNO2/c1-7(2)8-5-11(15)9(4-10(8)13)12(16)6-14-3/h4-5,7,12,14-16H,6H2,1-3H3
InChIKeyORAIPLLWEKWAJL-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84811957
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 84713316
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117468684
5-[1-hydroxy-2-(methylamino)ethyl]-3,4-dimethylbenzene-1,2-diol
CID 117301904
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
CID 117351342
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol?
The IUPAC name of 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol (CID 117465267) is 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol.
What is the SMILES notation for 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol?
The canonical SMILES for 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol is CNCC(O)c1cc(Br)c(C(C)C)cc1O.
What is the InChIKey of 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol?
The InChIKey is ORAIPLLWEKWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-7(2)8-5-11(15)9(4-10(8)13)12(16)6-14-3/h4-5,7,12,14-16H,6H2,1-3H3.
What are the key properties of 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol?
4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol has a molecular weight of 288.19 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol is sourced from PubChem (CID 117465267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).