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

C8H11BrClNO — CID 67265924

IUPAC(1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride
SMILESCl.NC[C@@H](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/t8-;/m1./s1
InChIKeyITDCEEMCJJUSBB-DDWIOCJRSA-N
MW252.54 g/mol
LogP1.86
Rot. Bonds2

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

(1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride (PubChem CID 67265924) has the molecular formula C8H11BrClNO and a molecular weight of 252.54 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride
PubChem CID67265924
Molecular FormulaC8H11BrClNO
Molecular Weight252.54 g/mol
Exact Mass250.97
IUPAC Name(1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride
SMILESCl.NC[C@@H](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/t8-;/m1./s1
InChIKeyITDCEEMCJJUSBB-DDWIOCJRSA-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 (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
The IUPAC name of (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride (CID 67265924) is (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride is Cl.NC[C@@H](O)c1cccc(Br)c1.
What is the InChIKey of (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
The InChIKey is ITDCEEMCJJUSBB-DDWIOCJRSA-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/t8-;/m1./s1.
What are the key properties of (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride?
(1S)-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 (1S)-2-amino-1-(3-bromophenyl)ethanol;hydrochloride is sourced from PubChem (CID 67265924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).