1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine

C14H14Cl2FNS — CID 55145420

IUPAC1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)s1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H14Cl2FNS/c1-18-9(7-10-5-6-14(16)19-10)8-11-12(15)3-2-4-13(11)17/h2-6,9,18H,7-8H2,1H3
InChIKeyUXJJTOPPMQEECT-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.57
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 55145420) has the molecular formula C14H14Cl2FNS and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID55145420
Molecular FormulaC14H14Cl2FNS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)s1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H14Cl2FNS/c1-18-9(7-10-5-6-14(16)19-10)8-11-12(15)3-2-4-13(11)17/h2-6,9,18H,7-8H2,1H3
InChIKeyUXJJTOPPMQEECT-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine (CID 55145420) is 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine is CNC(Cc1ccc(Cl)s1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is UXJJTOPPMQEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FNS/c1-18-9(7-10-5-6-14(16)19-10)8-11-12(15)3-2-4-13(11)17/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 318.24 g/mol, XLogP of 4.57, 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)-3-(5-chlorothiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 55145420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).