3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine

C16H23F2NO2 — CID 107943656

IUPAC3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(F)cc(F)c2)C1OCCC
InChIInChI=1S/C16H23F2NO2/c1-3-5-19-14-10-15(16(14)20-6-4-2)21-13-8-11(17)7-12(18)9-13/h7-9,14-16,19H,3-6,10H2,1-2H3
InChIKeyGIFWPJFKYOORMW-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.28
Rot. Bonds8

About 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine

3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 107943656) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID107943656
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(F)cc(F)c2)C1OCCC
InChIInChI=1S/C16H23F2NO2/c1-3-5-19-14-10-15(16(14)20-6-4-2)21-13-8-11(17)7-12(18)9-13/h7-9,14-16,19H,3-6,10H2,1-2H3
InChIKeyGIFWPJFKYOORMW-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-difluorophenoxy)-2-propoxy-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

H-9/64
CID 3123920
H 87-07
CID 193122
1-(Cyclopentylamino)-3-(4-fluorophenoxy)-2-propanol hydrochloride
CID 2969902
1-((2-Methoxyethyl)amino)-3-phenoxy-2-propanol
CID 111016
3-(3-Fluorophenoxy)pyrrolidine
CID 45075501
N-cyclopentyl-N-[2-(4-isopropoxyphenoxy)ethyl]amine
CID 1825652
N-cyclopentyl-N-[2-(4-propoxyphenoxy)ethyl]amine
CID 1825672
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine
CID 2247152
2-[4-(2-Fluorophenoxy)butylamino]ethanol
CID 2250232
2-{[4-(4-Fluorophenoxy)butyl]amino}ethanol
CID 2250255
N-{2-[2-(4-fluorophenoxy)ethoxy]ethyl}-1-butanamine
CID 2280962
1-(2-Fluorophenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 3550257

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine (CID 107943656) is 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(F)cc(F)c2)C1OCCC.
What is the InChIKey of 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is GIFWPJFKYOORMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-3-5-19-14-10-15(16(14)20-6-4-2)21-13-8-11(17)7-12(18)9-13/h7-9,14-16,19H,3-6,10H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine?
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107943656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).