1-(2,5-difluorophenyl)-2-(methylamino)ethanol

C9H11F2NO — CID 60904118

IUPAC1-(2,5-difluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-12-5-9(13)7-4-6(10)2-3-8(7)11/h2-4,9,12-13H,5H2,1H3
InChIKeyPFGMRNUPGGOPEA-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.22
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(methylamino)ethanol

1-(2,5-difluorophenyl)-2-(methylamino)ethanol (PubChem CID 60904118) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(methylamino)ethanol
PubChem CID60904118
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,5-difluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-12-5-9(13)7-4-6(10)2-3-8(7)11/h2-4,9,12-13H,5H2,1H3
InChIKeyPFGMRNUPGGOPEA-UHFFFAOYSA-N
XLogP1.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811175
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556
2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
CID 82801499
2-(but-3-yn-2-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 114416982
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol
CID 79249000
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(methylamino)ethanol (CID 60904118) is 1-(2,5-difluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(methylamino)ethanol?
The InChIKey is PFGMRNUPGGOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-12-5-9(13)7-4-6(10)2-3-8(7)11/h2-4,9,12-13H,5H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(methylamino)ethanol?
1-(2,5-difluorophenyl)-2-(methylamino)ethanol has a molecular weight of 187.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 60904118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).