2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine

C13H19NO3 — CID 113439770

IUPAC2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine
SMILESCOc1cccc(COC2CC(N)C2OC)c1
InChIInChI=1S/C13H19NO3/c1-15-10-5-3-4-9(6-10)8-17-12-7-11(14)13(12)16-2/h3-6,11-13H,7-8,14H2,1-2H3
InChIKeyOIHWMCCERVRQHU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds5

About 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine

2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine (PubChem CID 113439770) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine
PubChem CID113439770
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine
SMILESCOc1cccc(COC2CC(N)C2OC)c1
InChIInChI=1S/C13H19NO3/c1-15-10-5-3-4-9(6-10)8-17-12-7-11(14)13(12)16-2/h3-6,11-13H,7-8,14H2,1-2H3
InChIKeyOIHWMCCERVRQHU-UHFFFAOYSA-N
XLogP1.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
[2-[(3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 43428902
3-bromo-4-[(3-methoxyphenyl)methoxy]thiolane 1,1-dioxide
CID 114772397
1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
CID 59459056
3-bromo-1-[(3-methoxyphenyl)methoxy]spiro[3.4]octane
CID 66343418
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673746
2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine
CID 104674348
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 107850234
3-(3-chlorophenoxy)-2-methoxycyclobutan-1-amine
CID 104674327

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine (CID 113439770) is 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine is COc1cccc(COC2CC(N)C2OC)c1.
What is the InChIKey of 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine?
The InChIKey is OIHWMCCERVRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-10-5-3-4-9(6-10)8-17-12-7-11(14)13(12)16-2/h3-6,11-13H,7-8,14H2,1-2H3.
What are the key properties of 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine?
2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 113439770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).