(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol

C9H12BrNO — CID 10988050

IUPAC(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
SMILESN[C@H](CO)[C@@H](Br)c1ccccc1
InChIInChI=1S/C9H12BrNO/c10-9(8(11)6-12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2/t8-,9+/m1/s1
InChIKeyYBARPXDCHBQNQM-BDAKNGLRSA-N
MW230.11 g/mol
LogP1.44
Rot. Bonds3

About (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol

(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol (PubChem CID 10988050) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
PubChem CID10988050
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Name(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
SMILESN[C@H](CO)[C@@H](Br)c1ccccc1
InChIInChI=1S/C9H12BrNO/c10-9(8(11)6-12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2/t8-,9+/m1/s1
InChIKeyYBARPXDCHBQNQM-BDAKNGLRSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
CID 11300855
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
1-bromo-1-phenylpropan-2-amine
CID 12709385
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
bis(2-amino-1-phenylpropane-1,3-diol);sulfuric acid
CID 138397343
2-bromo-1-phenylpropane-1,3-diol
CID 21270529
(2R,3R)-2,3-diphenylpentane-1,5-diol
CID 102125969
bis((1S,2S)-2-amino-3-hydroxy-1-phenylpropan-1-olate);cobalt(3+);ethane-1,2-diamine;iodide;hydrate
CID 139069395
bromo(phenyl)methanamine;hydroiodide
CID 175393432
(2S)-3,3-bis(benzenesulfonyl)-2-phenylpropan-1-ol
CID 101238373

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol?
The IUPAC name of (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol (CID 10988050) is (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol.
What is the SMILES notation for (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol?
The canonical SMILES for (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol is N[C@H](CO)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol?
The InChIKey is YBARPXDCHBQNQM-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-9(8(11)6-12)7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol?
(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol has a molecular weight of 230.11 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol is sourced from PubChem (CID 10988050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).