2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride

C9H12Br2ClNO — CID 170893490

IUPAC2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C9H11Br2NO.ClH/c10-8-2-1-6(4-9(8)11)3-7(12)5-13;/h1-2,4,7,13H,3,5,12H2;1H
InChIKeyZOGLQQONAKNAGU-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.50
Rot. Bonds3

About 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride

2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride (PubChem CID 170893490) has the molecular formula C9H12Br2ClNO and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride
PubChem CID170893490
Molecular FormulaC9H12Br2ClNO
Molecular Weight345.46 g/mol
Exact Mass342.90
IUPAC Name2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(Br)c(Br)c1
InChIInChI=1S/C9H11Br2NO.ClH/c10-8-2-1-6(4-9(8)11)3-7(12)5-13;/h1-2,4,7,13H,3,5,12H2;1H
InChIKeyZOGLQQONAKNAGU-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
4-(2-amino-3-hydroxypropyl)benzene-1,2-diol;hydrochloride
CID 170891857
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 170893090
2-amino-3-(4-amino-3-sulfanylphenyl)propan-1-ol
CID 116998435
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
3-amino-4-(4-bromophenyl)butan-1-ol;hydrochloride
CID 69162278
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893059
[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
CID 101159032
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride (CID 170893490) is 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(Br)c(Br)c1.
What is the InChIKey of 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride?
The InChIKey is ZOGLQQONAKNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO.ClH/c10-8-2-1-6(4-9(8)11)3-7(12)5-13;/h1-2,4,7,13H,3,5,12H2;1H.
What are the key properties of 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride?
2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride has a molecular weight of 345.46 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dibromophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).