2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine

C15H21ClFNS2 — CID 103345750

IUPAC2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1CSC(C)C(C)S1
InChIInChI=1S/C15H21ClFNS2/c1-9-10(2)20-15(8-19-9)14(18-3)7-11-6-12(16)4-5-13(11)17/h4-6,9-10,14-15,18H,7-8H2,1-3H3
InChIKeyHUIDYQBZFQNHFY-UHFFFAOYSA-N
MW333.93 g/mol
LogP4.24
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine

2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine (PubChem CID 103345750) has the molecular formula C15H21ClFNS2 and a molecular weight of 333.93 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
PubChem CID103345750
Molecular FormulaC15H21ClFNS2
Molecular Weight333.93 g/mol
Exact Mass333.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)C1CSC(C)C(C)S1
InChIInChI=1S/C15H21ClFNS2/c1-9-10(2)20-15(8-19-9)14(18-3)7-11-6-12(16)4-5-13(11)17/h4-6,9-10,14-15,18H,7-8H2,1-3H3
InChIKeyHUIDYQBZFQNHFY-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.93
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345735
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345724
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103345824
[2-(2,3-dichlorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 107312815
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103346428
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 103049066
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
2-(2-chloro-4-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanamine
CID 103345372
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103346014
2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
CID 103346179

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine (CID 103345750) is 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)C1CSC(C)C(C)S1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
The InChIKey is HUIDYQBZFQNHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNS2/c1-9-10(2)20-15(8-19-9)14(18-3)7-11-6-12(16)4-5-13(11)17/h4-6,9-10,14-15,18H,7-8H2,1-3H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine has a molecular weight of 333.93 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine is sourced from PubChem (CID 103345750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).