N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride

C12H19ClFNO2S — CID 155821416

IUPACN-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride
SMILESCCNC(Cc1ccc(F)cc1)CS(C)(=O)=O.Cl
InChIInChI=1S/C12H18FNO2S.ClH/c1-3-14-12(9-17(2,15)16)8-10-4-6-11(13)7-5-10;/h4-7,12,14H,3,8-9H2,1-2H3;1H
InChIKeyUVLMWWUOWCVOJT-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.81
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride

N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride (PubChem CID 155821416) has the molecular formula C12H19ClFNO2S and a molecular weight of 295.81 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride
PubChem CID155821416
Molecular FormulaC12H19ClFNO2S
Molecular Weight295.81 g/mol
Exact Mass295.08
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride
SMILESCCNC(Cc1ccc(F)cc1)CS(C)(=O)=O.Cl
InChIInChI=1S/C12H18FNO2S.ClH/c1-3-14-12(9-17(2,15)16)8-10-4-6-11(13)7-5-10;/h4-7,12,14H,3,8-9H2,1-2H3;1H
InChIKeyUVLMWWUOWCVOJT-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride (CID 155821416) is N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride is CCNC(Cc1ccc(F)cc1)CS(C)(=O)=O.Cl.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride?
The InChIKey is UVLMWWUOWCVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S.ClH/c1-3-14-12(9-17(2,15)16)8-10-4-6-11(13)7-5-10;/h4-7,12,14H,3,8-9H2,1-2H3;1H.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride?
N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine;hydrochloride is sourced from PubChem (CID 155821416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).