2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

C14H20ClFN2S — CID 114843214

IUPAC2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Cl)ccc2F)CC(C)S1
InChIInChI=1S/C14H20ClFN2S/c1-9-7-18(8-10(2)19-9)14(6-17)12-5-11(15)3-4-13(12)16/h3-5,9-10,14H,6-8,17H2,1-2H3
InChIKeyXFKPLLSJMJWBIJ-UHFFFAOYSA-N
MW302.85 g/mol
LogP3.30
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (PubChem CID 114843214) has the molecular formula C14H20ClFN2S and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
PubChem CID114843214
Molecular FormulaC14H20ClFN2S
Molecular Weight302.85 g/mol
Exact Mass302.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Cl)ccc2F)CC(C)S1
InChIInChI=1S/C14H20ClFN2S/c1-9-7-18(8-10(2)19-9)14(6-17)12-5-11(15)3-4-13(12)16/h3-5,9-10,14H,6-8,17H2,1-2H3
InChIKeyXFKPLLSJMJWBIJ-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(2,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 104958120
2-(4-chlorothiophen-2-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79426852
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183
2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 114843385
2-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 66155643
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 104816353

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (CID 114843214) is 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cc(Cl)ccc2F)CC(C)S1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The InChIKey is XFKPLLSJMJWBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2S/c1-9-7-18(8-10(2)19-9)14(6-17)12-5-11(15)3-4-13(12)16/h3-5,9-10,14H,6-8,17H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine has a molecular weight of 302.85 g/mol, XLogP of 3.30, 3 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)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 114843214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).