1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol

C11H16FNO — CID 84774389

IUPAC1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C)c(C)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-9(11(14)6-13-3)10(12)5-8(7)2/h4-5,11,13-14H,6H2,1-3H3
InChIKeyPQQDXMYOBFISCU-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol

1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 84774389) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID84774389
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(C)c(C)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-9(11(14)6-13-3)10(12)5-8(7)2/h4-5,11,13-14H,6H2,1-3H3
InChIKeyPQQDXMYOBFISCU-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
4-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-2-methylbenzoic acid
CID 117326537
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-4-methylbenzoic acid
CID 117326538
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol (CID 84774389) is 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(C)c(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is PQQDXMYOBFISCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-4-9(11(14)6-13-3)10(12)5-8(7)2/h4-5,11,13-14H,6H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol?
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 197.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84774389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).