1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol

C10H13BrFNO — CID 84710705

IUPAC1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(F)ccc(C)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-3-4-7(12)9(10(6)11)8(14)5-13-2/h3-4,8,13-14H,5H2,1-2H3
InChIKeyAPYMICJTXTXOOO-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol

1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol (PubChem CID 84710705) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
PubChem CID84710705
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(F)ccc(C)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-3-4-7(12)9(10(6)11)8(14)5-13-2/h3-4,8,13-14H,5H2,1-2H3
InChIKeyAPYMICJTXTXOOO-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
3-bromo-2-(1-bromoethyl)-1-fluoro-4-methylbenzene
CID 130140556
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol
CID 117364611
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol (CID 84710705) is 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1c(F)ccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is APYMICJTXTXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6-3-4-7(12)9(10(6)11)8(14)5-13-2/h3-4,8,13-14H,5H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol?
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 262.12 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84710705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).