1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine

C16H25NO3S — CID 107762559

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
SMILESCNC(CSC1CCOC1C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3S/c1-11-16(7-8-20-11)21-10-14(17-2)13-9-12(18-3)5-6-15(13)19-4/h5-6,9,11,14,16-17H,7-8,10H2,1-4H3
InChIKeyZVRIEAALHIFNKF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.87
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine

1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine (PubChem CID 107762559) 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-(2-methyloxolan-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
PubChem CID107762559
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
SMILESCNC(CSC1CCOC1C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3S/c1-11-16(7-8-20-11)21-10-14(17-2)13-9-12(18-3)5-6-15(13)19-4/h5-6,9,11,14,16-17H,7-8,10H2,1-4H3
InChIKeyZVRIEAALHIFNKF-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627745
1-(2,5-dimethoxyphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953131
1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762815
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-2-methyloxolane
CID 103847340
[4-methoxy-2-[(2-methyloxolan-3-yl)sulfanylmethyl]phenyl]boronic acid
CID 107754343
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-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760034
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758131

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine (CID 107762559) is 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine is CNC(CSC1CCOC1C)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The InChIKey is ZVRIEAALHIFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-16(7-8-20-11)21-10-14(17-2)13-9-12(18-3)5-6-15(13)19-4/h5-6,9,11,14,16-17H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine has a molecular weight of 311.45 g/mol, XLogP of 2.87, 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-(2-methyloxolan-3-yl)sulfanylethanamine is sourced from PubChem (CID 107762559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).