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

Analyze 3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-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

Related Compounds

3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350700
2,2-dimethyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutan-1-amine
CID 66352052
3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358217
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66357264

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).