3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C14H19BrFNO — CID 66350523

IUPAC3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-4-14(2)12(17-3)8-13(14)18-9-5-6-10(15)11(16)7-9/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyPYPMEAPIOZYNSO-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.74
Rot. Bonds4

About 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66350523) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66350523
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-4-14(2)12(17-3)8-13(14)18-9-5-6-10(15)11(16)7-9/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyPYPMEAPIOZYNSO-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66350523) is 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is PYPMEAPIOZYNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-4-14(2)12(17-3)8-13(14)18-9-5-6-10(15)11(16)7-9/h5-7,12-13,17H,4,8H2,1-3H3.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 316.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66350523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).