1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine

C15H17FN2O2S — CID 83119502

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2S/c1-11(15-8-5-13(16)10-18-15)17-9-12-3-6-14(7-4-12)21(2,19)20/h3-8,10-11,17H,9H2,1-2H3
InChIKeyLUBJKPWYEPGNSQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.47
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine

1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine (PubChem CID 83119502) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
PubChem CID83119502
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2S/c1-11(15-8-5-13(16)10-18-15)17-9-12-3-6-14(7-4-12)21(2,19)20/h3-8,10-11,17H,9H2,1-2H3
InChIKeyLUBJKPWYEPGNSQ-UHFFFAOYSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117448
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103894751

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine (CID 83119502) is 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine is CC(NCc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine?
The InChIKey is LUBJKPWYEPGNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(15-8-5-13(16)10-18-15)17-9-12-3-6-14(7-4-12)21(2,19)20/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine?
1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine has a molecular weight of 308.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 83119502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).