2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine

C14H20FNO — CID 66357504

IUPAC2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-4-14(2)12(16-3)9-13(14)17-11-8-6-5-7-10(11)15/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyYQCWGJUEAGYVIE-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.98
Rot. Bonds4

About 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine

2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine (PubChem CID 66357504) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
PubChem CID66357504
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1ccccc1F
InChIInChI=1S/C14H20FNO/c1-4-14(2)12(16-3)9-13(14)17-11-8-6-5-7-10(11)15/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyYQCWGJUEAGYVIE-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine (CID 66357504) is 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1ccccc1F.
What is the InChIKey of 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
The InChIKey is YQCWGJUEAGYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-14(2)12(16-3)9-13(14)17-11-8-6-5-7-10(11)15/h5-8,12-13,16H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine?
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).