3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine

C14H17BrF3NO2 — CID 102715077

IUPAC3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H17BrF3NO2/c1-3-13(2)11(19)7-12(13)20-8-4-5-10(9(15)6-8)21-14(16,17)18/h4-6,11-12H,3,7,19H2,1-2H3
InChIKeyMGEGAPGRBUFSIW-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.24
Rot. Bonds4

About 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine

3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 102715077) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID102715077
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC Name3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H17BrF3NO2/c1-3-13(2)11(19)7-12(13)20-8-4-5-10(9(15)6-8)21-14(16,17)18/h4-6,11-12H,3,7,19H2,1-2H3
InChIKeyMGEGAPGRBUFSIW-UHFFFAOYSA-N
XLogP4.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine (CID 102715077) is 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1Oc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is MGEGAPGRBUFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c1-3-13(2)11(19)7-12(13)20-8-4-5-10(9(15)6-8)21-14(16,17)18/h4-6,11-12H,3,7,19H2,1-2H3.
What are the key properties of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine?
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 368.19 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 102715077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).