N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine

C16H19NO3S — CID 62485758

IUPACN-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
SMILESCNCC(Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-17-12-16(13-6-4-3-5-7-13)20-14-8-10-15(11-9-14)21(2,18)19/h3-11,16-17H,12H2,1-2H3
InChIKeyVQGGMRZMTVZXMX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine

N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine (PubChem CID 62485758) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
PubChem CID62485758
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
SMILESCNCC(Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-17-12-16(13-6-4-3-5-7-13)20-14-8-10-15(11-9-14)21(2,18)19/h3-11,16-17H,12H2,1-2H3
InChIKeyVQGGMRZMTVZXMX-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51174507
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 21178346
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 83235004
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide
CID 51184920
N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116803622
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
CID 15250469

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine?
The IUPAC name of N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine (CID 62485758) is N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine?
The canonical SMILES for N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine is CNCC(Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine?
The InChIKey is VQGGMRZMTVZXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17-12-16(13-6-4-3-5-7-13)20-14-8-10-15(11-9-14)21(2,18)19/h3-11,16-17H,12H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine?
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine is sourced from PubChem (CID 62485758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).