[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine

C17H25NO2S — CID 117492478

IUPAC[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
SMILESCOc1cccc(C2(CN)CCC2)c1OC1CCSCC1
InChIInChI=1S/C17H25NO2S/c1-19-15-5-2-4-14(17(12-18)8-3-9-17)16(15)20-13-6-10-21-11-7-13/h2,4-5,13H,3,6-12,18H2,1H3
InChIKeyBKNUHSIQQTXCIP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.35
Rot. Bonds5

About [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine

[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine (PubChem CID 117492478) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
PubChem CID117492478
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
SMILESCOc1cccc(C2(CN)CCC2)c1OC1CCSCC1
InChIInChI=1S/C17H25NO2S/c1-19-15-5-2-4-14(17(12-18)8-3-9-17)16(15)20-13-6-10-21-11-7-13/h2,4-5,13H,3,6-12,18H2,1H3
InChIKeyBKNUHSIQQTXCIP-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
3-[3-methoxy-2-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451966
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
3-[2-(1-isocyanatocyclobutyl)-6-methoxyphenoxy]thiolane
CID 117490753

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine (CID 117492478) is [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine is COc1cccc(C2(CN)CCC2)c1OC1CCSCC1.
What is the InChIKey of [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine?
The InChIKey is BKNUHSIQQTXCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-19-15-5-2-4-14(17(12-18)8-3-9-17)16(15)20-13-6-10-21-11-7-13/h2,4-5,13H,3,6-12,18H2,1H3.
What are the key properties of [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine?
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine has a molecular weight of 307.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117492478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).