(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol

C11H15Br2NO2 — CID 42588460

IUPAC(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)COc1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-14(2)6-9(15)7-16-11-4-3-8(12)5-10(11)13/h3-5,9,15H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyGGBVNYZQGSIRJO-VIFPVBQESA-N
MW353.05 g/mol
LogP2.51
Rot. Bonds5

About (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol

(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol (PubChem CID 42588460) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
PubChem CID42588460
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)COc1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO2/c1-14(2)6-9(15)7-16-11-4-3-8(12)5-10(11)13/h3-5,9,15H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyGGBVNYZQGSIRJO-VIFPVBQESA-N
XLogP2.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
4-[3-(2,4-dibromophenoxy)-2-hydroxypropoxy]benzonitrile
CID 112806046
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
(2S)-1-(2,4-dibromophenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 51678289
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
CID 64718642
(2S)-1-(2,4-dibromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51678302
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol (CID 42588460) is (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol is CN(C)C[C@H](O)COc1ccc(Br)cc1Br.
What is the InChIKey of (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol?
The InChIKey is GGBVNYZQGSIRJO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-14(2)6-9(15)7-16-11-4-3-8(12)5-10(11)13/h3-5,9,15H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol?
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol has a molecular weight of 353.05 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 42588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).