1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine

C16H27NO2S — CID 104518885

IUPAC1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cc(CC)ccc1CC)C(C)S(C)(=O)=O
InChIInChI=1S/C16H27NO2S/c1-6-13-9-10-14(7-2)15(11-13)16(17-8-3)12(4)20(5,18)19/h9-12,16-17H,6-8H2,1-5H3
InChIKeyREVXPTKPTCMZSD-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.90
Rot. Bonds7

About 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine

1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 104518885) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID104518885
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cc(CC)ccc1CC)C(C)S(C)(=O)=O
InChIInChI=1S/C16H27NO2S/c1-6-13-9-10-14(7-2)15(11-13)16(17-8-3)12(4)20(5,18)19/h9-12,16-17H,6-8H2,1-5H3
InChIKeyREVXPTKPTCMZSD-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 115851148
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518952
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518932
N-[(2,5-diethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827045
N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 107961012
1-(2,5-diethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874478
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102653734

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine (CID 104518885) is 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(c1cc(CC)ccc1CC)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is REVXPTKPTCMZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-13-9-10-14(7-2)15(11-13)16(17-8-3)12(4)20(5,18)19/h9-12,16-17H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).