3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C16H19FN2O — CID 126471087

IUPAC3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C16H19FN2O/c1-19(2)10-5-11-20-16-9-8-13(12-18-16)14-6-3-4-7-15(14)17/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyQEMWWGSPESSWSA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.22
Rot. Bonds6

About 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 126471087) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID126471087
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C16H19FN2O/c1-19(2)10-5-11-20-16-9-8-13(12-18-16)14-6-3-4-7-15(14)17/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyQEMWWGSPESSWSA-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(4-tert-butylphenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146089357
1-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]ethanone
CID 126469961
3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 139784180
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66771953
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
CID 126470020
3-[[5-[9-(1H-imidazol-5-yl)pyrido[1,2-a]benzimidazol-2-yl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 142413761
3-[2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865955
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 126471087) is 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccc(-c2ccccc2F)cn1.
What is the InChIKey of 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is QEMWWGSPESSWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(2)10-5-11-20-16-9-8-13(12-18-16)14-6-3-4-7-15(14)17/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 126471087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).