2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

C14H15F2NOS — CID 81121768

IUPAC2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1cc(OC)cs1
InChIInChI=1S/C14H15F2NOS/c1-17-12(13-7-10(18-2)8-19-13)6-9-4-3-5-11(15)14(9)16/h3-5,7-8,12,17H,6H2,1-2H3
InChIKeyYZVGXRSMYLFBMS-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.54
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 81121768) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID81121768
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1cc(OC)cs1
InChIInChI=1S/C14H15F2NOS/c1-17-12(13-7-10(18-2)8-19-13)6-9-4-3-5-11(15)14(9)16/h3-5,7-8,12,17H,6H2,1-2H3
InChIKeyYZVGXRSMYLFBMS-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 115800875
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (CID 81121768) is 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1cccc(F)c1F)c1cc(OC)cs1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is YZVGXRSMYLFBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-17-12(13-7-10(18-2)8-19-13)6-9-4-3-5-11(15)14(9)16/h3-5,7-8,12,17H,6H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 283.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 81121768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).