3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol

C11H15Br2NO3 — CID 66176532

IUPAC3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
SMILESCOc1c(Br)cc(Br)cc1CNCC(O)CO
InChIInChI=1S/C11H15Br2NO3/c1-17-11-7(2-8(12)3-10(11)13)4-14-5-9(16)6-15/h2-3,9,14-16H,4-6H2,1H3
InChIKeyFINYUBKJUDFKLW-UHFFFAOYSA-N
MW369.05 g/mol
LogP1.66
Rot. Bonds6

About 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol

3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol (PubChem CID 66176532) has the molecular formula C11H15Br2NO3 and a molecular weight of 369.05 g/mol. Its IUPAC name is 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
PubChem CID66176532
Molecular FormulaC11H15Br2NO3
Molecular Weight369.05 g/mol
Exact Mass366.94
IUPAC Name3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
SMILESCOc1c(Br)cc(Br)cc1CNCC(O)CO
InChIInChI=1S/C11H15Br2NO3/c1-17-11-7(2-8(12)3-10(11)13)4-14-5-9(16)6-15/h2-3,9,14-16H,4-6H2,1H3
InChIKeyFINYUBKJUDFKLW-UHFFFAOYSA-N
XLogP1.66
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.05
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 115644565
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224145
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol
CID 113376063
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-hydroxypropanamide
CID 106171817
(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
CID 103766342

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol (CID 66176532) is 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol is COc1c(Br)cc(Br)cc1CNCC(O)CO.
What is the InChIKey of 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol?
The InChIKey is FINYUBKJUDFKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3/c1-17-11-7(2-8(12)3-10(11)13)4-14-5-9(16)6-15/h2-3,9,14-16H,4-6H2,1H3.
What are the key properties of 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol?
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol has a molecular weight of 369.05 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66176532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).