N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine

C14H22FNO2S — CID 104518932

IUPACN-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cc(C)c(F)c(C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C14H22FNO2S/c1-6-16-14(11(4)19(5,17)18)12-7-9(2)13(15)10(3)8-12/h7-8,11,14,16H,6H2,1-5H3
InChIKeyKVWGJOIRLDNIJK-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine

N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine (PubChem CID 104518932) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
PubChem CID104518932
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC NameN-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cc(C)c(F)c(C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C14H22FNO2S/c1-6-16-14(11(4)19(5,17)18)12-7-9(2)13(15)10(3)8-12/h7-8,11,14,16H,6H2,1-5H3
InChIKeyKVWGJOIRLDNIJK-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518934
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 106944839
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518585
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518885
N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021408
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102653734
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine (CID 104518932) is N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine is CCNC(c1cc(C)c(F)c(C)c1)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is KVWGJOIRLDNIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-6-16-14(11(4)19(5,17)18)12-7-9(2)13(15)10(3)8-12/h7-8,11,14,16H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine?
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).