N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine

C16H24F2N2S — CID 106445370

IUPACN-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1CSCCN1C
InChIInChI=1S/C16H24F2N2S/c1-3-6-19-15(16-11-21-8-7-20(16)2)9-12-4-5-13(17)10-14(12)18/h4-5,10,15-16,19H,3,6-9,11H2,1-2H3
InChIKeyMSIMLPKZDMAKGL-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (PubChem CID 106445370) has the molecular formula C16H24F2N2S and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
PubChem CID106445370
Molecular FormulaC16H24F2N2S
Molecular Weight314.44 g/mol
Exact Mass314.16
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1CSCCN1C
InChIInChI=1S/C16H24F2N2S/c1-3-6-19-15(16-11-21-8-7-20(16)2)9-12-4-5-13(17)10-14(12)18/h4-5,10,15-16,19H,3,6-9,11H2,1-2H3
InChIKeyMSIMLPKZDMAKGL-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (CID 106445370) is N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)C1CSCCN1C.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The InChIKey is MSIMLPKZDMAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2S/c1-3-6-19-15(16-11-21-8-7-20(16)2)9-12-4-5-13(17)10-14(12)18/h4-5,10,15-16,19H,3,6-9,11H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine has a molecular weight of 314.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106445370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).