2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine

C16H18FNO2S — CID 64658527

IUPAC2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)c1ccccc1F)c1cccc(OC)c1
InChIInChI=1S/C16H18FNO2S/c1-18-15(12-6-5-7-13(10-12)20-2)11-21(19)16-9-4-3-8-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyNAYMQHGBPDFLQE-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine

2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 64658527) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID64658527
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)c1ccccc1F)c1cccc(OC)c1
InChIInChI=1S/C16H18FNO2S/c1-18-15(12-6-5-7-13(10-12)20-2)11-21(19)16-9-4-3-8-14(16)17/h3-10,15,18H,11H2,1-2H3
InChIKeyNAYMQHGBPDFLQE-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-(4-methoxyphenyl)-N-methylethanamine
CID 64657743
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64651801
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine (CID 64658527) is 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine is CNC(CS(=O)c1ccccc1F)c1cccc(OC)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is NAYMQHGBPDFLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-18-15(12-6-5-7-13(10-12)20-2)11-21(19)16-9-4-3-8-14(16)17/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine?
2-(2-fluorophenyl)sulfinyl-1-(3-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-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64658527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).