2-amino-1-(3-bromophenyl)ethanol;hydrochloride

C8H11BrClNO — CID 22021066

IUPAC2-amino-1-(3-bromophenyl)ethanol;hydrochloride
SMILESCl.NCC(O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8,11H,5,10H2;1H
InChIKeyITDCEEMCJJUSBB-UHFFFAOYSA-N
MW252.54 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-1-(3-bromophenyl)ethanol;hydrochloride

2-amino-1-(3-bromophenyl)ethanol;hydrochloride (PubChem CID 22021066) has the molecular formula C8H11BrClNO and a molecular weight of 252.54 g/mol. Its IUPAC name is 2-amino-1-(3-bromophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-bromophenyl)ethanol;hydrochloride
PubChem CID22021066
Molecular FormulaC8H11BrClNO
Molecular Weight252.54 g/mol
Exact Mass250.97
IUPAC Name2-amino-1-(3-bromophenyl)ethanol;hydrochloride
SMILESCl.NCC(O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8,11H,5,10H2;1H
InChIKeyITDCEEMCJJUSBB-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.54
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-1-(3-bromophenyl)ethanol;hydrochloride (CID 22021066) is 2-amino-1-(3-bromophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-(3-bromophenyl)ethanol;hydrochloride is Cl.NCC(O)c1cccc(Br)c1.
What is the InChIKey of 2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
The InChIKey is ITDCEEMCJJUSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8,11H,5,10H2;1H.
What are the key properties of 2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
2-amino-1-(3-bromophenyl)ethanol;hydrochloride has a molecular weight of 252.54 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromophenyl)ethanol;hydrochloride is sourced from PubChem (CID 22021066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).