1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol

C10H14BrNO3 — CID 171859236

IUPAC1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(Br)c1O
InChIInChI=1S/C10H14BrNO3/c1-12-5-8(13)10(15)6-3-2-4-7(11)9(6)14/h2-4,8,10,12-15H,5H2,1H3
InChIKeyZTVIAXMGQMYYIN-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.77
Rot. Bonds4

About 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol

1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859236) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859236
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(Br)c1O
InChIInChI=1S/C10H14BrNO3/c1-12-5-8(13)10(15)6-3-2-4-7(11)9(6)14/h2-4,8,10,12-15H,5H2,1H3
InChIKeyZTVIAXMGQMYYIN-UHFFFAOYSA-N
XLogP0.77
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171857750
1-(3,5-dibromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859166
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
CID 130741127
2-bromo-6-propan-2-ylphenol
CID 14663965
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
5-[1,2-dihydroxy-3-(methylamino)propyl]naphthalene-1-carboxylic acid
CID 171858908
3-[1,2-dihydroxy-3-(methylamino)propyl]-2-fluorobenzoic acid
CID 171858209
2-amino-6-[1,2-dihydroxy-3-(methylamino)propyl]benzonitrile
CID 171857933
1-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859243
1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
CID 82623850

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol (CID 171859236) is 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cccc(Br)c1O.
What is the InChIKey of 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is ZTVIAXMGQMYYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-12-5-8(13)10(15)6-3-2-4-7(11)9(6)14/h2-4,8,10,12-15H,5H2,1H3.
What are the key properties of 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 276.13 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).