2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol

C10H14BrNO2 — CID 103845987

IUPAC2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cc(OC)ccc1Br
InChIInChI=1S/C10H14BrNO2/c1-12-10(6-13)8-5-7(14-2)3-4-9(8)11/h3-5,10,12-13H,6H2,1-2H3
InChIKeyFBVIFOVPPRDLJE-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.71
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol

2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol (PubChem CID 103845987) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
PubChem CID103845987
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cc(OC)ccc1Br
InChIInChI=1S/C10H14BrNO2/c1-12-10(6-13)8-5-7(14-2)3-4-9(8)11/h3-5,10,12-13H,6H2,1-2H3
InChIKeyFBVIFOVPPRDLJE-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 105077750
(2R)-2-(2,5-dibromophenyl)-2-(methylamino)ethanol
CID 131062673
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984363
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169297
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681138
(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol (CID 103845987) is 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol is CNC(CO)c1cc(OC)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol?
The InChIKey is FBVIFOVPPRDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-12-10(6-13)8-5-7(14-2)3-4-9(8)11/h3-5,10,12-13H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol?
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol has a molecular weight of 260.13 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 103845987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).