3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine

C15H23NO2 — CID 107943230

IUPAC3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-4-7-17-15-13(16)9-14(15)18-12-6-5-10(2)11(3)8-12/h5-6,8,13-15H,4,7,9,16H2,1-3H3
InChIKeyBOEAGEBWYVYYRH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.58
Rot. Bonds5

About 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine

3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943230) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943230
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-4-7-17-15-13(16)9-14(15)18-12-6-5-10(2)11(3)8-12/h5-6,8,13-15H,4,7,9,16H2,1-3H3
InChIKeyBOEAGEBWYVYYRH-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943230) is 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is BOEAGEBWYVYYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-17-15-13(16)9-14(15)18-12-6-5-10(2)11(3)8-12/h5-6,8,13-15H,4,7,9,16H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine?
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).