2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine

C16H25NO — CID 66356750

IUPAC2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-5-16(6-2)14(17-4)11-15(16)18-13-9-7-12(3)8-10-13/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyCZQYZLCMCFGFKA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds5

About 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine

2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine (PubChem CID 66356750) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
PubChem CID66356750
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1Oc1ccc(C)cc1
InChIInChI=1S/C16H25NO/c1-5-16(6-2)14(17-4)11-15(16)18-13-9-7-12(3)8-10-13/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyCZQYZLCMCFGFKA-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine (CID 66356750) is 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine is CCC1(CC)C(NC)CC1Oc1ccc(C)cc1.
What is the InChIKey of 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine?
The InChIKey is CZQYZLCMCFGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-16(6-2)14(17-4)11-15(16)18-13-9-7-12(3)8-10-13/h7-10,14-15,17H,5-6,11H2,1-4H3.
What are the key properties of 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine?
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66356750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).