1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine

C14H21NO2 — CID 116811386

IUPAC1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1c(OC)cccc1OC
InChIInChI=1S/C14H21NO2/c1-15-9-10-7-8-11(10)14-12(16-2)5-4-6-13(14)17-3/h4-6,10-11,15H,7-9H2,1-3H3
InChIKeyLAEVQGWAIXGZRX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine

1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 116811386) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID116811386
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1c(OC)cccc1OC
InChIInChI=1S/C14H21NO2/c1-15-9-10-7-8-11(10)14-12(16-2)5-4-6-13(14)17-3/h4-6,10-11,15H,7-9H2,1-3H3
InChIKeyLAEVQGWAIXGZRX-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine (CID 116811386) is 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1c1c(OC)cccc1OC.
What is the InChIKey of 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is LAEVQGWAIXGZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-9-10-7-8-11(10)14-12(16-2)5-4-6-13(14)17-3/h4-6,10-11,15H,7-9H2,1-3H3.
What are the key properties of 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine?
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116811386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).