5-(1-amino-2-hydroxyethyl)-2-bromophenol

C8H10BrNO2 — CID 84795164

IUPAC5-(1-amino-2-hydroxyethyl)-2-bromophenol
SMILESNC(CO)c1ccc(Br)c(O)c1
InChIInChI=1S/C8H10BrNO2/c9-6-2-1-5(3-8(6)12)7(10)4-11/h1-3,7,11-12H,4,10H2
InChIKeyHLMVRLRYLOYVIT-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.15
Rot. Bonds2

About 5-(1-amino-2-hydroxyethyl)-2-bromophenol

5-(1-amino-2-hydroxyethyl)-2-bromophenol (PubChem CID 84795164) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)-2-bromophenol.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)-2-bromophenol
PubChem CID84795164
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-(1-amino-2-hydroxyethyl)-2-bromophenol
SMILESNC(CO)c1ccc(Br)c(O)c1
InChIInChI=1S/C8H10BrNO2/c9-6-2-1-5(3-8(6)12)7(10)4-11/h1-3,7,11-12H,4,10H2
InChIKeyHLMVRLRYLOYVIT-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
5-(1-aminobut-3-enyl)-2-bromophenol
CID 130043206
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 130612128
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468737
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxyethyl)-2-bromophenol?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)-2-bromophenol (CID 84795164) is 5-(1-amino-2-hydroxyethyl)-2-bromophenol.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)-2-bromophenol?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)-2-bromophenol is NC(CO)c1ccc(Br)c(O)c1.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)-2-bromophenol?
The InChIKey is HLMVRLRYLOYVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-6-2-1-5(3-8(6)12)7(10)4-11/h1-3,7,11-12H,4,10H2.
What are the key properties of 5-(1-amino-2-hydroxyethyl)-2-bromophenol?
5-(1-amino-2-hydroxyethyl)-2-bromophenol has a molecular weight of 232.08 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)-2-bromophenol is sourced from PubChem (CID 84795164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).