1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol

C12H17BrFNO — CID 117468684

IUPAC1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C(C)C)cc(Br)c1F
InChIInChI=1S/C12H17BrFNO/c1-7(2)8-4-9(11(16)6-15-3)12(14)10(13)5-8/h4-5,7,11,15-16H,6H2,1-3H3
InChIKeyISDYZXMCOHEDKO-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.96
Rot. Bonds4

About 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol

1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol (PubChem CID 117468684) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
PubChem CID117468684
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C(C)C)cc(Br)c1F
InChIInChI=1S/C12H17BrFNO/c1-7(2)8-4-9(11(16)6-15-3)12(14)10(13)5-8/h4-5,7,11,15-16H,6H2,1-3H3
InChIKeyISDYZXMCOHEDKO-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
CID 117470016
4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 117465267
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
CID 117351342
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
1-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117465073
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84811957
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol (CID 117468684) is 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(C(C)C)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol?
The InChIKey is ISDYZXMCOHEDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-7(2)8-4-9(11(16)6-15-3)12(14)10(13)5-8/h4-5,7,11,15-16H,6H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol?
1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol has a molecular weight of 290.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117468684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).