1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine

C15H21NO2S — CID 117448431

IUPAC1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
SMILESCOc1cccc(C2(N)CCC2)c1OC1CCSC1
InChIInChI=1S/C15H21NO2S/c1-17-13-5-2-4-12(15(16)7-3-8-15)14(13)18-11-6-9-19-10-11/h2,4-5,11H,3,6-10,16H2,1H3
InChIKeyQTZRFPTXEITWTF-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.92
Rot. Bonds4

About 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine

1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine (PubChem CID 117448431) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
PubChem CID117448431
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
SMILESCOc1cccc(C2(N)CCC2)c1OC1CCSC1
InChIInChI=1S/C15H21NO2S/c1-17-13-5-2-4-12(15(16)7-3-8-15)14(13)18-11-6-9-19-10-11/h2,4-5,11H,3,6-10,16H2,1H3
InChIKeyQTZRFPTXEITWTF-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
3-[2-(1-isocyanatocyclobutyl)-6-methoxyphenoxy]thiolane
CID 117490753
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine (CID 117448431) is 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine is COc1cccc(C2(N)CCC2)c1OC1CCSC1.
What is the InChIKey of 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine?
The InChIKey is QTZRFPTXEITWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-17-13-5-2-4-12(15(16)7-3-8-15)14(13)18-11-6-9-19-10-11/h2,4-5,11H,3,6-10,16H2,1H3.
What are the key properties of 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine?
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117448431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).