1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol

C10H14BrNOS — CID 84714418

IUPAC1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)cc(SC)c1
InChIInChI=1S/C10H14BrNOS/c1-12-6-10(13)7-3-8(11)5-9(4-7)14-2/h3-5,10,12-13H,6H2,1-2H3
InChIKeyFDXLJENWXCLVRT-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol

1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol (PubChem CID 84714418) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol
PubChem CID84714418
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Br)cc(SC)c1
InChIInChI=1S/C10H14BrNOS/c1-12-6-10(13)7-3-8(11)5-9(4-7)14-2/h3-5,10,12-13H,6H2,1-2H3
InChIKeyFDXLJENWXCLVRT-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol
CID 84710747
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-(3-bromo-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171859224
4-bromo-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 97416919
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
CID 91657590
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol (CID 84714418) is 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Br)cc(SC)c1.
What is the InChIKey of 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol?
The InChIKey is FDXLJENWXCLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-12-6-10(13)7-3-8(11)5-9(4-7)14-2/h3-5,10,12-13H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol?
1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol has a molecular weight of 276.20 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84714418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).