3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol

C12H18FNO — CID 115217213

IUPAC3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-14(7-3-9-15)8-6-11-4-2-5-12(13)10-11/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyGDKPJDLVWMOQEL-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.68
Rot. Bonds6

About 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol

3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol (PubChem CID 115217213) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
PubChem CID115217213
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-14(7-3-9-15)8-6-11-4-2-5-12(13)10-11/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyGDKPJDLVWMOQEL-UHFFFAOYSA-N
XLogP1.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
4-[2-(3-fluorophenyl)ethyl-methylamino]butanenitrile
CID 115232077
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008924
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
CID 131897473
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
2-[[3-(3-fluorophenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110009639

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol (CID 115217213) is 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol is CN(CCCO)CCc1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol?
The InChIKey is GDKPJDLVWMOQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-14(7-3-9-15)8-6-11-4-2-5-12(13)10-11/h2,4-5,10,15H,3,6-9H2,1H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol?
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115217213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).