1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine

C16H16Cl2FNS — CID 66065312

IUPAC1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-2-20-16(14-9-11(17)3-8-15(14)18)10-21-13-6-4-12(19)5-7-13/h3-9,16,20H,2,10H2,1H3
InChIKeyJCWBLZMHADKPQR-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.58
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine

1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 66065312) has the molecular formula C16H16Cl2FNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID66065312
Molecular FormulaC16H16Cl2FNS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-2-20-16(14-9-11(17)3-8-15(14)18)10-21-13-6-4-12(19)5-7-13/h3-9,16,20H,2,10H2,1H3
InChIKeyJCWBLZMHADKPQR-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66073061
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine (CID 66065312) is 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine is CCNC(CSc1ccc(F)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is JCWBLZMHADKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNS/c1-2-20-16(14-9-11(17)3-8-15(14)18)10-21-13-6-4-12(19)5-7-13/h3-9,16,20H,2,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine?
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 344.28 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66065312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).