2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine

C17H21NO2S — CID 64659524

IUPAC2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CS(=O)c1cccc(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-13-7-9-14(10-8-13)17(18-2)12-21(19)16-6-4-5-15(11-16)20-3/h4-11,17-18H,12H2,1-3H3
InChIKeyLZHFXBCSVIYEGM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.07
Rot. Bonds6

About 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine

2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 64659524) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID64659524
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CS(=O)c1cccc(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-13-7-9-14(10-8-13)17(18-2)12-21(19)16-6-4-5-15(11-16)20-3/h4-11,17-18H,12H2,1-3H3
InChIKeyLZHFXBCSVIYEGM-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64651801
2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64658527
2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64657743
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659700
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138
2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64652155
2-acetamido-3-(3-methoxyphenyl)sulfinylpropanoic acid
CID 64583525
4-(3-methoxyphenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64900579
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64659824
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine (CID 64659524) is 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine is CNC(CS(=O)c1cccc(OC)c1)c1ccc(C)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is LZHFXBCSVIYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-7-9-14(10-8-13)17(18-2)12-21(19)16-6-4-5-15(11-16)20-3/h4-11,17-18H,12H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine?
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64659524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).