1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine

C10H13ClFNS — CID 105394877

IUPAC1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNS/c1-13-10(6-14-2)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3
InChIKeyMIKLOOVWALEKAS-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.10
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine

1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 105394877) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
PubChem CID105394877
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNS/c1-13-10(6-14-2)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3
InChIKeyMIKLOOVWALEKAS-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine 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-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105396940
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380
[1-(2-chloro-5-fluorophenyl)-3,3-dimethylbutyl]hydrazine
CID 105397818

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine (CID 105394877) is 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is MIKLOOVWALEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNS/c1-13-10(6-14-2)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine?
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 233.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 105394877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).