1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine

C15H23ClN2S — CID 114861717

IUPAC1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1N1CC(C)SC(C)C1
InChIInChI=1S/C15H23ClN2S/c1-10(17)6-13-4-5-14(16)7-15(13)18-8-11(2)19-12(3)9-18/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyLUBYGRFMFHXLFS-UHFFFAOYSA-N
MW298.88 g/mol
LogP3.56
Rot. Bonds3

About 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine

1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 114861717) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
PubChem CID114861717
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1N1CC(C)SC(C)C1
InChIInChI=1S/C15H23ClN2S/c1-10(17)6-13-4-5-14(16)7-15(13)18-8-11(2)19-12(3)9-18/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyLUBYGRFMFHXLFS-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine
CID 114861712
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114862266
N-[[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 114851609
1-[4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-2-amine
CID 114860254
1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 114860620
4-[4-chloro-2-(chloromethyl)phenyl]-2,6-dimethylthiomorpholine
CID 114846712
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-chlorophenyl]propan-2-amine
CID 114862123
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
CID 114862216
1-[4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861896
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine (CID 114861717) is 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1N1CC(C)SC(C)C1.
What is the InChIKey of 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is LUBYGRFMFHXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-10(17)6-13-4-5-14(16)7-15(13)18-8-11(2)19-12(3)9-18/h4-5,7,10-12H,6,8-9,17H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine?
1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 298.88 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114861717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).