4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride

C9H12Br2ClNO2 — CID 171266843

IUPAC4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C9H11Br2NO2.ClH/c1-4(13)8(12)5-2-6(10)9(14)7(11)3-5;/h2-4,8,13-14H,12H2,1H3;1H/t4-,8-;/m1./s1
InChIKeyPBNUPEYXSBASEA-RURBIERHSA-N
MW361.46 g/mol
LogP2.72
Rot. Bonds2

About 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride

4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride (PubChem CID 171266843) has the molecular formula C9H12Br2ClNO2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
PubChem CID171266843
Molecular FormulaC9H12Br2ClNO2
Molecular Weight361.46 g/mol
Exact Mass358.89
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl
InChIInChI=1S/C9H11Br2NO2.ClH/c1-4(13)8(12)5-2-6(10)9(14)7(11)3-5;/h2-4,8,13-14H,12H2,1H3;1H/t4-,8-;/m1./s1
InChIKeyPBNUPEYXSBASEA-RURBIERHSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526
(1S)-1-amino-1-(4-amino-3-bromo-5-chlorophenyl)propan-2-ol
CID 130707255
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol
CID 171261172
4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
CID 131413389

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride (CID 171266843) is 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride is C[C@@H](O)[C@@H](N)c1cc(Br)c(O)c(Br)c1.Cl.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride?
The InChIKey is PBNUPEYXSBASEA-RURBIERHSA-N. The full InChI is InChI=1S/C9H11Br2NO2.ClH/c1-4(13)8(12)5-2-6(10)9(14)7(11)3-5;/h2-4,8,13-14H,12H2,1H3;1H/t4-,8-;/m1./s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride?
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride has a molecular weight of 361.46 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171266843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).