3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine

C14H21NO2S — CID 117237766

IUPAC3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
SMILESCOc1ccccc1OCC(CN)C1CCSC1
InChIInChI=1S/C14H21NO2S/c1-16-13-4-2-3-5-14(13)17-9-12(8-15)11-6-7-18-10-11/h2-5,11-12H,6-10,15H2,1H3
InChIKeyGVBHLTKTJAOSHT-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.40
Rot. Bonds6

About 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine

3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine (PubChem CID 117237766) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
PubChem CID117237766
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
SMILESCOc1ccccc1OCC(CN)C1CCSC1
InChIInChI=1S/C14H21NO2S/c1-16-13-4-2-3-5-14(13)17-9-12(8-15)11-6-7-18-10-11/h2-5,11-12H,6-10,15H2,1H3
InChIKeyGVBHLTKTJAOSHT-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
CID 117245425
2-(thiolan-3-yl)butan-1-amine
CID 82596112
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate
CID 107133035
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237266
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine (CID 117237766) is 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine is COc1ccccc1OCC(CN)C1CCSC1.
What is the InChIKey of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?
The InChIKey is GVBHLTKTJAOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-13-4-2-3-5-14(13)17-9-12(8-15)11-6-7-18-10-11/h2-5,11-12H,6-10,15H2,1H3.
What are the key properties of 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine?
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 117237766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).