2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol

C11H16FNO — CID 117113926

IUPAC2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol
SMILESCN(C)c1c(F)cccc1C(C)(C)O
InChIInChI=1S/C11H16FNO/c1-11(2,14)8-6-5-7-9(12)10(8)13(3)4/h5-7,14H,1-4H3
InChIKeyJGVDXOKQDQLBCV-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.12
Rot. Bonds2

About 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol

2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol (PubChem CID 117113926) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol
PubChem CID117113926
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol
SMILESCN(C)c1c(F)cccc1C(C)(C)O
InChIInChI=1S/C11H16FNO/c1-11(2,14)8-6-5-7-9(12)10(8)13(3)4/h5-7,14H,1-4H3
InChIKeyJGVDXOKQDQLBCV-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
2-(2-chloro-3-fluorophenyl)propan-2-ol
CID 84661762
2-(2-amino-3-fluorophenyl)propan-2-ol
CID 117104081
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2-bromo-6-fluoro-N,N-dimethylaniline
CID 99770093
2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117108572
2-(2,3-difluorophenyl)-2-hydroxypropanal
CID 66037904
2-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 84669438
2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
CID 117115563
3-[6-[2-[6-[3-(dimethylamino)-2,4-difluorophenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-N,N-dimethylaniline
CID 59341987
1-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylguanidine
CID 57290814
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol (CID 117113926) is 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol is CN(C)c1c(F)cccc1C(C)(C)O.
What is the InChIKey of 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol?
The InChIKey is JGVDXOKQDQLBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,14)8-6-5-7-9(12)10(8)13(3)4/h5-7,14H,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol?
2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol is sourced from PubChem (CID 117113926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).