2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine

C14H19ClFNS2 — CID 79965359

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1CSCCS1
InChIInChI=1S/C14H19ClFNS2/c1-2-17-13(14-9-18-5-6-19-14)7-10-3-4-11(16)8-12(10)15/h3-4,8,13-14,17H,2,5-7,9H2,1H3
InChIKeyFWTIVSGOKFGNQP-UHFFFAOYSA-N
MW319.90 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine

2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine (PubChem CID 79965359) has the molecular formula C14H19ClFNS2 and a molecular weight of 319.90 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
PubChem CID79965359
Molecular FormulaC14H19ClFNS2
Molecular Weight319.90 g/mol
Exact Mass319.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)C1CSCCS1
InChIInChI=1S/C14H19ClFNS2/c1-2-17-13(14-9-18-5-6-19-14)7-10-3-4-11(16)8-12(10)15/h3-4,8,13-14,17H,2,5-7,9H2,1H3
InChIKeyFWTIVSGOKFGNQP-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965548
N-[2-(2,4-dichlorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965753
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 79971420
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965642
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine (CID 79965359) is 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Cl)C1CSCCS1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The InChIKey is FWTIVSGOKFGNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNS2/c1-2-17-13(14-9-18-5-6-19-14)7-10-3-4-11(16)8-12(10)15/h3-4,8,13-14,17H,2,5-7,9H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine has a molecular weight of 319.90 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79965359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).