3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine

C13H19NO2 — CID 104674259

IUPAC3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-8-5-4-6-11(9(8)2)16-12-7-10(14)13(12)15-3/h4-6,10,12-13H,7,14H2,1-3H3
InChIKeyAECPITBFOWLRLJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds3

About 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine

3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine (PubChem CID 104674259) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
PubChem CID104674259
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-8-5-4-6-11(9(8)2)16-12-7-10(14)13(12)15-3/h4-6,10,12-13H,7,14H2,1-3H3
InChIKeyAECPITBFOWLRLJ-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
CID 113439792
3-(2,3-dimethylphenoxy)cyclobutan-1-amine
CID 66358304
1-[3-chloro-2-(2-methoxyethoxy)cyclobutyl]oxy-2,3-dimethylbenzene
CID 114032163
3-(2,3-dimethylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439879
3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine
CID 104674749
2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine
CID 104674348
[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293889
3-(3-chlorophenoxy)-2-methoxycyclobutan-1-amine
CID 104674327
3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674976
3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674523
2-ethoxy-3-(3-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676363
(4S,5S)-5-(2,3-dimethylphenoxy)azepan-4-ol
CID 22808307

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine (CID 104674259) is 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine is COC1C(N)CC1Oc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine?
The InChIKey is AECPITBFOWLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-5-4-6-11(9(8)2)16-12-7-10(14)13(12)15-3/h4-6,10,12-13H,7,14H2,1-3H3.
What are the key properties of 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine?
3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).