N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine

C13H20FNO2S — CID 79439132

IUPACN-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
SMILESCCNCC(CCS(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C13H20FNO2S/c1-3-15-10-11(8-9-18(2,16)17)12-6-4-5-7-13(12)14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyZGRWBLDNDNYMAG-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.95
Rot. Bonds7

About N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine

N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine (PubChem CID 79439132) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
PubChem CID79439132
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
SMILESCCNCC(CCS(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C13H20FNO2S/c1-3-15-10-11(8-9-18(2,16)17)12-6-4-5-7-13(12)14/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyZGRWBLDNDNYMAG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
1-(1-chloro-4-methylsulfonylbutan-2-yl)-2-fluorobenzene
CID 79454374
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
2-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
N-ethyl-2-(2-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412646
4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
CID 79448797
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine (CID 79439132) is N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine is CCNCC(CCS(C)(=O)=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is ZGRWBLDNDNYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-3-15-10-11(8-9-18(2,16)17)12-6-4-5-7-13(12)14/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine?
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 79439132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).