N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine

C15H25NO3S — CID 105018126

IUPACN-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1ccccc1OC(C)C
InChIInChI=1S/C15H25NO3S/c1-5-10-16-14(11-20(4,17)18)13-8-6-7-9-15(13)19-12(2)3/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyDVUBFVGJVMYRKE-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds8

About N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine

N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine (PubChem CID 105018126) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
PubChem CID105018126
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1ccccc1OC(C)C
InChIInChI=1S/C15H25NO3S/c1-5-10-16-14(11-20(4,17)18)13-8-6-7-9-15(13)19-12(2)3/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyDVUBFVGJVMYRKE-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
CID 64631767
N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 105051943
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
N-[1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethyl]propan-1-amine
CID 79591684
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 105018405
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine (CID 105018126) is N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine is CCCNC(CS(C)(=O)=O)c1ccccc1OC(C)C.
What is the InChIKey of N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
The InChIKey is DVUBFVGJVMYRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-10-16-14(11-20(4,17)18)13-8-6-7-9-15(13)19-12(2)3/h6-9,12,14,16H,5,10-11H2,1-4H3.
What are the key properties of N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine?
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105018126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).