1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine

C16H25NO3S — CID 64627745

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCNC(CSC1CCOCC1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3S/c1-17-15(11-21-13-6-8-20-9-7-13)14-10-12(18-2)4-5-16(14)19-3/h4-5,10,13,15,17H,6-9,11H2,1-3H3
InChIKeyGSKLOZDUIHHEAK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.88
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine

1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 64627745) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID64627745
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCNC(CSC1CCOCC1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3S/c1-17-15(11-21-13-6-8-20-9-7-13)14-10-12(18-2)4-5-16(14)19-3/h4-5,10,13,15,17H,6-9,11H2,1-3H3
InChIKeyGSKLOZDUIHHEAK-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762559
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953131
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64655258
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927797
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
1-(2,5-dimethoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734412

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine (CID 64627745) is 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine is CNC(CSC1CCOCC1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is GSKLOZDUIHHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-17-15(11-21-13-6-8-20-9-7-13)14-10-12(18-2)4-5-16(14)19-3/h4-5,10,13,15,17H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine?
1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 311.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 64627745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).