1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C14H15ClFNS — CID 115861153

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNS/c1-17-13(8-7-10-4-3-9-18-10)14-11(15)5-2-6-12(14)16/h2-6,9,13,17H,7-8H2,1H3
InChIKeyOVJRMHWJJSBJSD-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861153) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115861153
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNS/c1-17-13(8-7-10-4-3-9-18-10)14-11(15)5-2-6-12(14)16/h2-6,9,13,17H,7-8H2,1H3
InChIKeyOVJRMHWJJSBJSD-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-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

1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794403
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987746
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453182
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997235
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 115861153) is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is OVJRMHWJJSBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-17-13(8-7-10-4-3-9-18-10)14-11(15)5-2-6-12(14)16/h2-6,9,13,17H,7-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).