3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine

C12H16FNO2 — CID 116811436

IUPAC3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
SMILESCOc1cccc(OC)c1C1(F)CC(N)C1
InChIInChI=1S/C12H16FNO2/c1-15-9-4-3-5-10(16-2)11(9)12(13)6-8(14)7-12/h3-5,8H,6-7,14H2,1-2H3
InChIKeyAAPOLXMEBFKGDI-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.99
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine

3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine (PubChem CID 116811436) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
PubChem CID116811436
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
SMILESCOc1cccc(OC)c1C1(F)CC(N)C1
InChIInChI=1S/C12H16FNO2/c1-15-9-4-3-5-10(16-2)11(9)12(13)6-8(14)7-12/h3-5,8H,6-7,14H2,1-2H3
InChIKeyAAPOLXMEBFKGDI-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-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-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 116811438
3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
CID 116811435
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277
2,6-dimethoxyaniline;ethane
CID 145233133
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
3-(3,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112564188
3-(2,6-dimethoxyphenoxy)cyclobutan-1-amine
CID 66356674
2,2,3,3-tetrafluoro-4-methoxy-1H-indene
CID 86255415
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine (CID 116811436) is 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine is COc1cccc(OC)c1C1(F)CC(N)C1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine?
The InChIKey is AAPOLXMEBFKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-9-4-3-5-10(16-2)11(9)12(13)6-8(14)7-12/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine?
3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine has a molecular weight of 225.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 116811436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).