2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

C15H18FNO2S — CID 105035509

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1sccc1OC
InChIInChI=1S/C15H18FNO2S/c1-17-11(15-13(19-3)7-8-20-15)9-10-5-4-6-12(18-2)14(10)16/h4-8,11,17H,9H2,1-3H3
InChIKeyMEOZQBMWNPWTHV-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.41
Rot. Bonds6

About 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 105035509) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID105035509
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1sccc1OC
InChIInChI=1S/C15H18FNO2S/c1-17-11(15-13(19-3)7-8-20-15)9-10-5-4-6-12(18-2)14(10)16/h4-8,11,17H,9H2,1-3H3
InChIKeyMEOZQBMWNPWTHV-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105035474
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 106274257
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997024
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (CID 105035509) is 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1cccc(OC)c1F)c1sccc1OC.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is MEOZQBMWNPWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-17-11(15-13(19-3)7-8-20-15)9-10-5-4-6-12(18-2)14(10)16/h4-8,11,17H,9H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 295.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105035509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).