1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine

C16H19FN2O3S — CID 84587895

IUPAC1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine
SMILESCC(NCCOc1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1
InChIInChI=1S/C16H19FN2O3S/c1-12(13-9-14(17)11-18-10-13)19-7-8-22-15-3-5-16(6-4-15)23(2,20)21/h3-6,9-12,19H,7-8H2,1-2H3
InChIKeyKQZDSJQZLJOAGU-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.35
Rot. Bonds7

About 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine

1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine (PubChem CID 84587895) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine
PubChem CID84587895
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine
SMILESCC(NCCOc1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1
InChIInChI=1S/C16H19FN2O3S/c1-12(13-9-14(17)11-18-10-13)19-7-8-22-15-3-5-16(6-4-15)23(2,20)21/h3-6,9-12,19H,7-8H2,1-2H3
InChIKeyKQZDSJQZLJOAGU-UHFFFAOYSA-N
XLogP2.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
CID 133319936
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103776062
N-[1-(4-methylsulfonylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43207436
4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 71862788

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine (CID 84587895) is 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine is CC(NCCOc1ccc(S(C)(=O)=O)cc1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine?
The InChIKey is KQZDSJQZLJOAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-12(13-9-14(17)11-18-10-13)19-7-8-22-15-3-5-16(6-4-15)23(2,20)21/h3-6,9-12,19H,7-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine?
1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine has a molecular weight of 338.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 84587895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).