3-(5-bromo-2-ethoxyanilino)propane-1,2-diol

C11H16BrNO3 — CID 168596387

IUPAC3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
SMILESCCOc1ccc(Br)cc1NCC(O)CO
InChIInChI=1S/C11H16BrNO3/c1-2-16-11-4-3-8(12)5-10(11)13-6-9(15)7-14/h3-5,9,13-15H,2,6-7H2,1H3
InChIKeyOQEBKDNCZLYNKR-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.61
Rot. Bonds6

About 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol

3-(5-bromo-2-ethoxyanilino)propane-1,2-diol (PubChem CID 168596387) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
PubChem CID168596387
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
SMILESCCOc1ccc(Br)cc1NCC(O)CO
InChIInChI=1S/C11H16BrNO3/c1-2-16-11-4-3-8(12)5-10(11)13-6-9(15)7-14/h3-5,9,13-15H,2,6-7H2,1H3
InChIKeyOQEBKDNCZLYNKR-UHFFFAOYSA-N
XLogP1.61
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol 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

3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
3-(5-bromo-2-ethoxyanilino)propan-1-ol
CID 84586742
(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929656
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 110930838
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754866
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
CID 119300663
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol?
The IUPAC name of 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol (CID 168596387) is 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol.
What is the SMILES notation for 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol?
The canonical SMILES for 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol is CCOc1ccc(Br)cc1NCC(O)CO.
What is the InChIKey of 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol?
The InChIKey is OQEBKDNCZLYNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-2-16-11-4-3-8(12)5-10(11)13-6-9(15)7-14/h3-5,9,13-15H,2,6-7H2,1H3.
What are the key properties of 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol?
3-(5-bromo-2-ethoxyanilino)propane-1,2-diol has a molecular weight of 290.16 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-ethoxyanilino)propane-1,2-diol is sourced from PubChem (CID 168596387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).