1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine

C16H17ClFNS — CID 105395026

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNS/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-10-12(18)8-9-15(14)17/h3-10,16,19H,2,11H2,1H3
InChIKeyZHZUMICSJTYERS-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.92
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine (PubChem CID 105395026) has the molecular formula C16H17ClFNS and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
PubChem CID105395026
Molecular FormulaC16H17ClFNS
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNS/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-10-12(18)8-9-15(14)17/h3-10,16,19H,2,11H2,1H3
InChIKeyZHZUMICSJTYERS-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine 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-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 65143565
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine (CID 105395026) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine is CCNC(CSc1ccccc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
The InChIKey is ZHZUMICSJTYERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNS/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-10-12(18)8-9-15(14)17/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine has a molecular weight of 309.84 g/mol, XLogP of 4.92, 6 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-ethyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 105395026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).