2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride

C9H13BrClNO2 — CID 171198651

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(Br)ccc1O
InChIInChI=1S/C9H12BrNO2.ClH/c10-6-1-2-9(13)7(5-6)8(11)3-4-12;/h1-2,5,8,12-13H,3-4,11H2;1H/t8-;/m1./s1
InChIKeyYMYKBWANRPSJCT-DDWIOCJRSA-N
MW282.56 g/mol
LogP1.96
Rot. Bonds3

About 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride

2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride (PubChem CID 171198651) has the molecular formula C9H13BrClNO2 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
PubChem CID171198651
Molecular FormulaC9H13BrClNO2
Molecular Weight282.56 g/mol
Exact Mass280.98
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(Br)ccc1O
InChIInChI=1S/C9H12BrNO2.ClH/c10-6-1-2-9(13)7(5-6)8(11)3-4-12;/h1-2,5,8,12-13H,3-4,11H2;1H/t8-;/m1./s1
InChIKeyYMYKBWANRPSJCT-DDWIOCJRSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.56
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-amino-4-hydroxybutyl]-4-bromophenol
CID 171218170
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
2-[(1S)-1-amino-4-hydroxybutyl]-5-bromophenol
CID 171224302
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171239039
2-[(1S)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171229770
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride (CID 171198651) is 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride is Cl.N[C@H](CCO)c1cc(Br)ccc1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride?
The InChIKey is YMYKBWANRPSJCT-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H12BrNO2.ClH/c10-6-1-2-9(13)7(5-6)8(11)3-4-12;/h1-2,5,8,12-13H,3-4,11H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride?
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride has a molecular weight of 282.56 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride is sourced from PubChem (CID 171198651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).