N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine

C13H21NO2S — CID 115789749

IUPACN-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cccc(C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-5-14-13(11(3)17(4,15)16)12-8-6-7-10(2)9-12/h6-9,11,13-14H,5H2,1-4H3
InChIKeyQFWOTMMDNIRNIC-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine

N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine (PubChem CID 115789749) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
PubChem CID115789749
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1cccc(C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-5-14-13(11(3)17(4,15)16)12-8-6-7-10(2)9-12/h6-9,11,13-14H,5H2,1-4H3
InChIKeyQFWOTMMDNIRNIC-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
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1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
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1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
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1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 115851148
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
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N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518885
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine (CID 115789749) is N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine is CCNC(c1cccc(C)c1)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is QFWOTMMDNIRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-14-13(11(3)17(4,15)16)12-8-6-7-10(2)9-12/h6-9,11,13-14H,5H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine?
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115789749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).