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

C14H16FNS — CID 81477797

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cccc(C)c1F
InChIInChI=1S/C14H16FNS/c1-10-5-3-7-12(14(10)15)13(16-2)9-11-6-4-8-17-11/h3-8,13,16H,9H2,1-2H3
InChIKeyVSHWVDXCWFBHJP-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.70
Rot. Bonds4

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

1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 81477797) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID81477797
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1cccc(C)c1F
InChIInChI=1S/C14H16FNS/c1-10-5-3-7-12(14(10)15)13(16-2)9-11-6-4-8-17-11/h3-8,13,16H,9H2,1-2H3
InChIKeyVSHWVDXCWFBHJP-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine 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

1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
[1-(2,3-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211766
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790932
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81477959
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine (CID 81477797) is 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is VSHWVDXCWFBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-10-5-3-7-12(14(10)15)13(16-2)9-11-6-4-8-17-11/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 81477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).