3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine

C12H17NO2 — CID 162346422

IUPAC3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine
SMILESCOc1cc(OC2CC(N)C2)ccc1C
InChIInChI=1S/C12H17NO2/c1-8-3-4-10(7-12(8)14-2)15-11-5-9(13)6-11/h3-4,7,9,11H,5-6,13H2,1-2H3
InChIKeyMQZYVVWCTPELRB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds3

About 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine

3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine (PubChem CID 162346422) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine
PubChem CID162346422
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine
SMILESCOc1cc(OC2CC(N)C2)ccc1C
InChIInChI=1S/C12H17NO2/c1-8-3-4-10(7-12(8)14-2)15-11-5-9(13)6-11/h3-4,7,9,11H,5-6,13H2,1-2H3
InChIKeyMQZYVVWCTPELRB-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine (CID 162346422) is 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine is COc1cc(OC2CC(N)C2)ccc1C.
What is the InChIKey of 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine?
The InChIKey is MQZYVVWCTPELRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-4-10(7-12(8)14-2)15-11-5-9(13)6-11/h3-4,7,9,11H,5-6,13H2,1-2H3.
What are the key properties of 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine?
3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 162346422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).