N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine

C13H21NO2S — CID 79763044

IUPACN-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCc1ccccc1CCNC(C)CS(C)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-11-6-4-5-7-13(11)8-9-14-12(2)10-17(3,15)16/h4-7,12,14H,8-10H2,1-3H3
InChIKeyDYPBTFJWHTWFRX-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine

N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 79763044) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID79763044
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCc1ccccc1CCNC(C)CS(C)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-11-6-4-5-7-13(11)8-9-14-12(2)10-17(3,15)16/h4-7,12,14H,8-10H2,1-3H3
InChIKeyDYPBTFJWHTWFRX-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034
1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62473098
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 64630766
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine (CID 79763044) is N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine is Cc1ccccc1CCNC(C)CS(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is DYPBTFJWHTWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11-6-4-5-7-13(11)8-9-14-12(2)10-17(3,15)16/h4-7,12,14H,8-10H2,1-3H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 79763044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).