1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride

C9H13BrClNO — CID 91662856

IUPAC1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride
SMILESCC(O)(CN)c1ccccc1Br.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-9(12,6-11)7-4-2-3-5-8(7)10;/h2-5,12H,6,11H2,1H3;1H
InChIKeyFGKSQKOQKXFVDW-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.04
Rot. Bonds2

About 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride

1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride (PubChem CID 91662856) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride
PubChem CID91662856
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride
SMILESCC(O)(CN)c1ccccc1Br.Cl
InChIInChI=1S/C9H12BrNO.ClH/c1-9(12,6-11)7-4-2-3-5-8(7)10;/h2-5,12H,6,11H2,1H3;1H
InChIKeyFGKSQKOQKXFVDW-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromophenyl)propan-2-ol
CID 329527
1-Amino-2-phenylpropan-2-ol
CID 12362998
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CID 12474014
3-(4-Bromophenyl)pyrrolidin-3-ol hydrochloride
CID 3051527
3-(4-Bromophenyl)-5-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051529
2-Amino-1-(4-bromophenyl)propan-1-ol
CID 19422955
1-Amino-2-(4-fluorophenyl)propan-2-ol
CID 24271637
1-Amino-2-phenylbutan-2-ol
CID 17831
1-Amino-2-phenylbutan-2-olato--hydrogen chlorido (1/1)
CID 17830
Benzenemethanol, alpha-(1-aminoethyl)-alpha-methyl-, hydrochloride (1:1)
CID 59829
2-Amino-1-(3-bromophenyl)ethan-1-ol hydrochloride
CID 22021066
1-Amino-2-(3-fluorophenyl)propan-2-ol
CID 62774359

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride (CID 91662856) is 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride is CC(O)(CN)c1ccccc1Br.Cl.
What is the InChIKey of 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride?
The InChIKey is FGKSQKOQKXFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c1-9(12,6-11)7-4-2-3-5-8(7)10;/h2-5,12H,6,11H2,1H3;1H.
What are the key properties of 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride?
1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-bromophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 91662856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).