3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine

C15H23NO2 — CID 81415296

IUPAC3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine
SMILESCOc1cc(C)c(C2CC(N)C2(C)C)cc1OC
InChIInChI=1S/C15H23NO2/c1-9-6-12(17-4)13(18-5)7-10(9)11-8-14(16)15(11,2)3/h6-7,11,14H,8,16H2,1-5H3
InChIKeyKEPMQJOAOLYGDO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds3

About 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine

3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 81415296) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID81415296
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine
SMILESCOc1cc(C)c(C2CC(N)C2(C)C)cc1OC
InChIInChI=1S/C15H23NO2/c1-9-6-12(17-4)13(18-5)7-10(9)11-8-14(16)15(11,2)3/h6-7,11,14H,8,16H2,1-5H3
InChIKeyKEPMQJOAOLYGDO-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine (CID 81415296) is 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine is COc1cc(C)c(C2CC(N)C2(C)C)cc1OC.
What is the InChIKey of 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is KEPMQJOAOLYGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-6-12(17-4)13(18-5)7-10(9)11-8-14(16)15(11,2)3/h6-7,11,14H,8,16H2,1-5H3.
What are the key properties of 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine?
3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethoxy-2-methylphenyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81415296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).