3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine

C13H19NO3 — CID 66359286

IUPAC3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C13H19NO3/c1-14-9-4-12(5-9)17-13-7-10(15-2)6-11(8-13)16-3/h6-9,12,14H,4-5H2,1-3H3
InChIKeyYMMCXQKIRZOVNU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.83
Rot. Bonds5

About 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine

3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 66359286) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine
PubChem CID66359286
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C13H19NO3/c1-14-9-4-12(5-9)17-13-7-10(15-2)6-11(8-13)16-3/h6-9,12,14H,4-5H2,1-3H3
InChIKeyYMMCXQKIRZOVNU-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine (CID 66359286) is 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2cc(OC)cc(OC)c2)C1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is YMMCXQKIRZOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-9-4-12(5-9)17-13-7-10(15-2)6-11(8-13)16-3/h6-9,12,14H,4-5H2,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine?
3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66359286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).