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

C17H28N2OS — CID 106445493

IUPACN-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)C1CSCCN1C
InChIInChI=1S/C17H28N2OS/c1-4-9-18-15(16-13-21-11-10-19(16)2)12-14-7-5-6-8-17(14)20-3/h5-8,15-16,18H,4,9-13H2,1-3H3
InChIKeyGCJSOCXCWOCEBZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.65
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (PubChem CID 106445493) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
PubChem CID106445493
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)C1CSCCN1C
InChIInChI=1S/C17H28N2OS/c1-4-9-18-15(16-13-21-11-10-19(16)2)12-14-7-5-6-8-17(14)20-3/h5-8,15-16,18H,4,9-13H2,1-3H3
InChIKeyGCJSOCXCWOCEBZ-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446450
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-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (CID 106445493) is N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)C1CSCCN1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The InChIKey is GCJSOCXCWOCEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-4-9-18-15(16-13-21-11-10-19(16)2)12-14-7-5-6-8-17(14)20-3/h5-8,15-16,18H,4,9-13H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine has a molecular weight of 308.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106445493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).