2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

C15H23ClN2OS — CID 104816353

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCOc1cccc(Cl)c1C(CN)N1CC(C)SC(C)C1
InChIInChI=1S/C15H23ClN2OS/c1-10-8-18(9-11(2)20-10)13(7-17)15-12(16)5-4-6-14(15)19-3/h4-6,10-11,13H,7-9,17H2,1-3H3
InChIKeyFAJYTNQRHDPKJY-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.17
Rot. Bonds4

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

2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (PubChem CID 104816353) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
PubChem CID104816353
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCOc1cccc(Cl)c1C(CN)N1CC(C)SC(C)C1
InChIInChI=1S/C15H23ClN2OS/c1-10-8-18(9-11(2)20-10)13(7-17)15-12(16)5-4-6-14(15)19-3/h4-6,10-11,13H,7-9,17H2,1-3H3
InChIKeyFAJYTNQRHDPKJY-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 104816411
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 104816304
2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 104816358
2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 104816433
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30122272
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391497
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 114843214
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
2-(4-chlorothiophen-2-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79426852
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79983806

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (CID 104816353) is 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is COc1cccc(Cl)c1C(CN)N1CC(C)SC(C)C1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The InChIKey is FAJYTNQRHDPKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-10-8-18(9-11(2)20-10)13(7-17)15-12(16)5-4-6-14(15)19-3/h4-6,10-11,13H,7-9,17H2,1-3H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine has a molecular weight of 314.88 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 104816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).