3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

C15H21F2NO — CID 81267993

IUPAC3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2c(F)cccc2F)C1(C)C
InChIInChI=1S/C15H21F2NO/c1-4-8-18-12-9-13(15(12,2)3)19-14-10(16)6-5-7-11(14)17/h5-7,12-13,18H,4,8-9H2,1-3H3
InChIKeyXRFIZQXDAMJLAR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.51
Rot. Bonds5

About 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 81267993) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID81267993
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2c(F)cccc2F)C1(C)C
InChIInChI=1S/C15H21F2NO/c1-4-8-18-12-9-13(15(12,2)3)19-14-10(16)6-5-7-11(14)17/h5-7,12-13,18H,4,8-9H2,1-3H3
InChIKeyXRFIZQXDAMJLAR-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 81267993) is 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2c(F)cccc2F)C1(C)C.
What is the InChIKey of 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is XRFIZQXDAMJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-4-8-18-12-9-13(15(12,2)3)19-14-10(16)6-5-7-11(14)17/h5-7,12-13,18H,4,8-9H2,1-3H3.
What are the key properties of 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 269.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81267993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).