2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine

C14H21NO2 — CID 113439792

IUPAC2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1c(C)ccc(C)c1C
InChIInChI=1S/C14H21NO2/c1-8-5-6-9(2)13(10(8)3)17-12-7-11(15)14(12)16-4/h5-6,11-12,14H,7,15H2,1-4H3
InChIKeyZOVLAJGQEORPKT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds3

About 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine

2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine (PubChem CID 113439792) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
PubChem CID113439792
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1c(C)ccc(C)c1C
InChIInChI=1S/C14H21NO2/c1-8-5-6-9(2)13(10(8)3)17-12-7-11(15)14(12)16-4/h5-6,11-12,14H,7,15H2,1-4H3
InChIKeyZOVLAJGQEORPKT-UHFFFAOYSA-N
XLogP2.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine (CID 113439792) is 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine is COC1C(N)CC1Oc1c(C)ccc(C)c1C.
What is the InChIKey of 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
The InChIKey is ZOVLAJGQEORPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8-5-6-9(2)13(10(8)3)17-12-7-11(15)14(12)16-4/h5-6,11-12,14H,7,15H2,1-4H3.
What are the key properties of 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine?
2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 113439792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).