1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C16H20FNOS — CID 105144559

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H20FNOS/c1-18-15(7-3-5-13-6-4-10-20-13)12-8-9-16(19-2)14(17)11-12/h4,6,8-11,15,18H,3,5,7H2,1-2H3
InChIKeyKNVNPXPMKMBLFR-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.18
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105144559) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105144559
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H20FNOS/c1-18-15(7-3-5-13-6-4-10-20-13)12-8-9-16(19-2)14(17)11-12/h4,6,8-11,15,18H,3,5,7H2,1-2H3
InChIKeyKNVNPXPMKMBLFR-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
CID 105033634
2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
CID 63018350
1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105188622
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105144559) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is KNVNPXPMKMBLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-18-15(7-3-5-13-6-4-10-20-13)12-8-9-16(19-2)14(17)11-12/h4,6,8-11,15,18H,3,5,7H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105144559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).