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

C9H11Br2NO2 — CID 130990105

IUPAC2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
SMILESC[C@H](O)[C@H](N)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H11Br2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8-/m0/s1
InChIKeyAPOXEDJZHRXPKX-NVNXEXLPSA-N
MW325.00 g/mol
LogP2.30
Rot. Bonds2

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

2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol (PubChem CID 130990105) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
PubChem CID130990105
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
SMILESC[C@H](O)[C@H](N)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H11Br2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8-/m0/s1
InChIKeyAPOXEDJZHRXPKX-NVNXEXLPSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.30
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-[(1R,2S)-1-amino-2-hydroxypropyl]-4-bromo-6-methoxyphenol
CID 131422660
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-dibromophenol
CID 171266417
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4,6-dibromophenol;hydrochloride
CID 171266422
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol?
The IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol (CID 130990105) is 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol is C[C@H](O)[C@H](N)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol?
The InChIKey is APOXEDJZHRXPKX-NVNXEXLPSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8-/m0/s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol?
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol has a molecular weight of 325.00 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol is sourced from PubChem (CID 130990105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).