5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol

C9H11BrClNO2 — CID 84811957

IUPAC5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1cc(Cl)c(Br)cc1O
InChIInChI=1S/C9H11BrClNO2/c1-12-4-9(14)5-2-7(11)6(10)3-8(5)13/h2-3,9,12-14H,4H2,1H3
InChIKeyVMHBYNHTFIFHBS-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.06
Rot. Bonds3

About 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol

5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 84811957) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID84811957
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(O)c1cc(Cl)c(Br)cc1O
InChIInChI=1S/C9H11BrClNO2/c1-12-4-9(14)5-2-7(11)6(10)3-8(5)13/h2-3,9,12-14H,4H2,1H3
InChIKeyVMHBYNHTFIFHBS-UHFFFAOYSA-N
XLogP2.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 117465267
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
2-[(1S)-1-amino-3-hydroxypropyl]-5-bromo-4-chlorophenol
CID 130751961
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol (CID 84811957) is 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol is CNCC(O)c1cc(Cl)c(Br)cc1O.
What is the InChIKey of 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is VMHBYNHTFIFHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-12-4-9(14)5-2-7(11)6(10)3-8(5)13/h2-3,9,12-14H,4H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol?
5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 280.55 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84811957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).