N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine

C15H23NO2S — CID 91831507

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
SMILESCOc1ccccc1OCCN(C)C1CCSCC1
InChIInChI=1S/C15H23NO2S/c1-16(13-7-11-19-12-8-13)9-10-18-15-6-4-3-5-14(15)17-2/h3-6,13H,7-12H2,1-2H3
InChIKeyIZCRKWGEOHAERN-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine

N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine (PubChem CID 91831507) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
PubChem CID91831507
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
SMILESCOc1ccccc1OCCN(C)C1CCSCC1
InChIInChI=1S/C15H23NO2S/c1-16(13-7-11-19-12-8-13)9-10-18-15-6-4-3-5-14(15)17-2/h3-6,13H,7-12H2,1-2H3
InChIKeyIZCRKWGEOHAERN-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43296257
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine (CID 91831507) is N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine is COc1ccccc1OCCN(C)C1CCSCC1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine?
The InChIKey is IZCRKWGEOHAERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16(13-7-11-19-12-8-13)9-10-18-15-6-4-3-5-14(15)17-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine?
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine has a molecular weight of 281.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine is sourced from PubChem (CID 91831507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).