2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine

C16H18FNO2S — CID 64657743

IUPAC2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)c1ccccc1F)c1ccc(OC)cc1
InChIInChI=1S/C16H18FNO2S/c1-18-15(12-7-9-13(20-2)10-8-12)11-21(19)16-6-4-3-5-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyPYXDLKVNCSDQQH-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine

2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 64657743) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID64657743
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)c1ccccc1F)c1ccc(OC)cc1
InChIInChI=1S/C16H18FNO2S/c1-18-15(12-7-9-13(20-2)10-8-12)11-21(19)16-6-4-3-5-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyPYXDLKVNCSDQQH-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64658527
2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64658169
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 64652626
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64651801
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine (CID 64657743) is 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine is CNC(CS(=O)c1ccccc1F)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is PYXDLKVNCSDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-18-15(12-7-9-13(20-2)10-8-12)11-21(19)16-6-4-3-5-14(16)17/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine?
2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 307.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64657743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).