3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine

C16H25NO — CID 66358090

IUPAC3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-5-16(6-2)13(17)10-14(16)18-15-11(3)8-7-9-12(15)4/h7-9,13-14H,5-6,10,17H2,1-4H3
InChIKeyQXNIASYAOPPWMR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds4

About 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine

3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 66358090) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID66358090
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-5-16(6-2)13(17)10-14(16)18-15-11(3)8-7-9-12(15)4/h7-9,13-14H,5-6,10,17H2,1-4H3
InChIKeyQXNIASYAOPPWMR-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine (CID 66358090) is 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is QXNIASYAOPPWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-16(6-2)13(17)10-14(16)18-15-11(3)8-7-9-12(15)4/h7-9,13-14H,5-6,10,17H2,1-4H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine?
3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 66358090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).