1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine

C10H14FNO2S — CID 62473089

IUPAC1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)7-10(12)6-8-2-4-9(11)5-3-8/h2-5,10H,6-7,12H2,1H3
InChIKeyVGMMBLSAXXZKIF-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.74
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine

1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine (PubChem CID 62473089) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
PubChem CID62473089
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
SMILESCS(=O)(=O)CC(N)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-15(13,14)7-10(12)6-8-2-4-9(11)5-3-8/h2-5,10H,6-7,12H2,1H3
InChIKeyVGMMBLSAXXZKIF-UHFFFAOYSA-N
XLogP0.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958965
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride
CID 166436303
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 115820554
3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride
CID 115041325
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine (CID 62473089) is 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine is CS(=O)(=O)CC(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine?
The InChIKey is VGMMBLSAXXZKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-15(13,14)7-10(12)6-8-2-4-9(11)5-3-8/h2-5,10H,6-7,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine?
1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine has a molecular weight of 231.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 62473089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).