1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine

C17H19ClFNS — CID 107560383

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19ClFNS/c1-3-20-16(13-9-8-12(2)14(18)10-13)11-21-17-7-5-4-6-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyDBEQERFTLHNOAX-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.23
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine

1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 107560383) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID107560383
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19ClFNS/c1-3-20-16(13-9-8-12(2)14(18)10-13)11-21-17-7-5-4-6-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyDBEQERFTLHNOAX-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.86
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine 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-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
CID 107560401
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 64619889
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
2-(2-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-ethylethanamine
CID 66144476
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine (CID 107560383) is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine is CCNC(CSc1ccccc1F)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is DBEQERFTLHNOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c1-3-20-16(13-9-8-12(2)14(18)10-13)11-21-17-7-5-4-6-15(17)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 323.86 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 107560383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).