3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine

C13H18FN — CID 112564133

IUPAC3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine
SMILESCc1cc(C)c(C2(F)CC(N)C2)cc1C
InChIInChI=1S/C13H18FN/c1-8-4-10(3)12(5-9(8)2)13(14)6-11(15)7-13/h4-5,11H,6-7,15H2,1-3H3
InChIKeyTXOAYAWYMGVOFL-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.90
Rot. Bonds1

About 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine

3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine (PubChem CID 112564133) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine
PubChem CID112564133
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine
SMILESCc1cc(C)c(C2(F)CC(N)C2)cc1C
InChIInChI=1S/C13H18FN/c1-8-4-10(3)12(5-9(8)2)13(14)6-11(15)7-13/h4-5,11H,6-7,15H2,1-3H3
InChIKeyTXOAYAWYMGVOFL-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112563918
3-(3,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112564188
4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
CID 112563237
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991
3-(2,6-dimethoxyphenyl)-3-fluorocyclobutan-1-amine
CID 116811436
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277
3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
CID 112565649
3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 107450141
ethane;methane;1,2,4,5-tetramethylbenzene
CID 144520627
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine (CID 112564133) is 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine is Cc1cc(C)c(C2(F)CC(N)C2)cc1C.
What is the InChIKey of 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine?
The InChIKey is TXOAYAWYMGVOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-8-4-10(3)12(5-9(8)2)13(14)6-11(15)7-13/h4-5,11H,6-7,15H2,1-3H3.
What are the key properties of 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine?
3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,4,5-trimethylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 112564133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).