1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine

C13H20FNO2S — CID 62472909

IUPAC1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)CS(C)(=O)=O
InChIInChI=1S/C13H20FNO2S/c1-3-8-15-12(10-18(2,16)17)9-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyFEZKJCYDXUIJPB-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.78
Rot. Bonds7

About 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine

1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine (PubChem CID 62472909) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
PubChem CID62472909
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC Name1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)CS(C)(=O)=O
InChIInChI=1S/C13H20FNO2S/c1-3-8-15-12(10-18(2,16)17)9-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyFEZKJCYDXUIJPB-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62473098
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
CID 63935309
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine (CID 62472909) is 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1F)CS(C)(=O)=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The InChIKey is FEZKJCYDXUIJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-3-8-15-12(10-18(2,16)17)9-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine?
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine has a molecular weight of 273.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 62472909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).