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

C15H21NO2S — CID 117448428

IUPAC[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
SMILESCOc1cccc(C2(CN)CCC2)c1OC1CSC1
InChIInChI=1S/C15H21NO2S/c1-17-13-5-2-4-12(15(10-16)6-3-7-15)14(13)18-11-8-19-9-11/h2,4-5,11H,3,6-10,16H2,1H3
InChIKeyBOEHKWUYPXNVJZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.57
Rot. Bonds5

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

[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine (PubChem CID 117448428) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
PubChem CID117448428
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
SMILESCOc1cccc(C2(CN)CCC2)c1OC1CSC1
InChIInChI=1S/C15H21NO2S/c1-17-13-5-2-4-12(15(10-16)6-3-7-15)14(13)18-11-8-19-9-11/h2,4-5,11H,3,6-10,16H2,1H3
InChIKeyBOEHKWUYPXNVJZ-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493403
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
(E)-3-[3-methoxy-2-(thietan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117381934

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine (CID 117448428) is [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine is COc1cccc(C2(CN)CCC2)c1OC1CSC1.
What is the InChIKey of [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine?
The InChIKey is BOEHKWUYPXNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-17-13-5-2-4-12(15(10-16)6-3-7-15)14(13)18-11-8-19-9-11/h2,4-5,11H,3,6-10,16H2,1H3.
What are the key properties of [1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine?
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine has a molecular weight of 279.40 g/mol, XLogP of 2.57, 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-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117448428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).