2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine

C14H16FNOS — CID 113453772

IUPAC2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1ccsc1
InChIInChI=1S/C14H16FNOS/c1-16-12(11-6-7-18-9-11)8-10-4-3-5-13(17-2)14(10)15/h3-7,9,12,16H,8H2,1-2H3
InChIKeyUALLMIRLVHRRTB-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine (PubChem CID 113453772) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
PubChem CID113453772
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1ccsc1
InChIInChI=1S/C14H16FNOS/c1-16-12(11-6-7-18-9-11)8-10-4-3-5-13(17-2)14(10)15/h3-7,9,12,16H,8H2,1-2H3
InChIKeyUALLMIRLVHRRTB-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105035474
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
1-(3-chloro-5-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035700
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine (CID 113453772) is 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine is CNC(Cc1cccc(OC)c1F)c1ccsc1.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine?
The InChIKey is UALLMIRLVHRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-16-12(11-6-7-18-9-11)8-10-4-3-5-13(17-2)14(10)15/h3-7,9,12,16H,8H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine?
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 113453772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).