2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

C14H16FNOS — CID 81122347

IUPAC2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cc(OC)cs1
InChIInChI=1S/C14H16FNOS/c1-16-13(14-8-12(17-2)9-18-14)7-10-3-5-11(15)6-4-10/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyCXAWLCKUKQTGLE-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 81122347) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID81122347
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cc(OC)cs1
InChIInChI=1S/C14H16FNOS/c1-16-13(14-8-12(17-2)9-18-14)7-10-3-5-11(15)6-4-10/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyCXAWLCKUKQTGLE-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-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 115800875
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
1-(4-methoxythiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013504
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 80532976
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (CID 81122347) is 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)c1cc(OC)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is CXAWLCKUKQTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-16-13(14-8-12(17-2)9-18-14)7-10-3-5-11(15)6-4-10/h3-6,8-9,13,16H,7H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine 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-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 81122347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).