4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine

C17H27NO2S — CID 83192078

IUPAC4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1CCOc1ccccc1OCC
InChIInChI=1S/C17H27NO2S/c1-3-10-18-15-13-21-12-14(15)9-11-20-17-8-6-5-7-16(17)19-4-2/h5-8,14-15,18H,3-4,9-13H2,1-2H3
InChIKeyAYMSEPLWCNHFPT-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.59
Rot. Bonds9

About 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine

4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine (PubChem CID 83192078) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine
PubChem CID83192078
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1CCOc1ccccc1OCC
InChIInChI=1S/C17H27NO2S/c1-3-10-18-15-13-21-12-14(15)9-11-20-17-8-6-5-7-16(17)19-4-2/h5-8,14-15,18H,3-4,9-13H2,1-2H3
InChIKeyAYMSEPLWCNHFPT-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896
N-methyl-4-(2-phenoxyethyl)thiolan-3-amine
CID 83196190
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83196101
3-bromo-4-[2-(2-methoxyphenoxy)ethyl]thiolane
CID 83190076
4-[(3-methoxyphenyl)methyl]-N-propylthiolan-3-amine
CID 83196318
4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
CID 103004607
4-[(2,5-difluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83195690
2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 102981137
3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
CID 106471139
4-bromo-3-[2-(2-ethoxyphenoxy)ethyl]oxane
CID 106471587
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine (CID 83192078) is 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine is CCCNC1CSCC1CCOc1ccccc1OCC.
What is the InChIKey of 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine?
The InChIKey is AYMSEPLWCNHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-10-18-15-13-21-12-14(15)9-11-20-17-8-6-5-7-16(17)19-4-2/h5-8,14-15,18H,3-4,9-13H2,1-2H3.
What are the key properties of 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine?
4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine has a molecular weight of 309.47 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83192078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).