1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine

C13H14FNOS — CID 43561402

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1ccc(OC)cc1F
InChIInChI=1S/C13H14FNOS/c1-15-13(12-4-3-7-17-12)10-6-5-9(16-2)8-11(10)14/h3-8,13,15H,1-2H3
InChIKeyZKDJINWLYPHJOL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43561402) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43561402
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1ccc(OC)cc1F
InChIInChI=1S/C13H14FNOS/c1-15-13(12-4-3-7-17-12)10-6-5-9(16-2)8-11(10)14/h3-8,13,15H,1-2H3
InChIKeyZKDJINWLYPHJOL-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43481960
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43561417
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103400975
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
1-(2-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288450
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
CID 81304169

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43561402) is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is ZKDJINWLYPHJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-15-13(12-4-3-7-17-12)10-6-5-9(16-2)8-11(10)14/h3-8,13,15H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43561402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).