3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

C15H20F3NO — CID 103902325

IUPAC3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NC(C)CC(F)(F)F)C2)c1
InChIInChI=1S/C15H20F3NO/c1-10(9-15(16,17)18)19-13-6-12(7-13)11-4-3-5-14(8-11)20-2/h3-5,8,10,12-13,19H,6-7,9H2,1-2H3
InChIKeyXBUUNIYGORUPPW-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.87
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (PubChem CID 103902325) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
PubChem CID103902325
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NC(C)CC(F)(F)F)C2)c1
InChIInChI=1S/C15H20F3NO/c1-10(9-15(16,17)18)19-13-6-12(7-13)11-4-3-5-14(8-11)20-2/h3-5,8,10,12-13,19H,6-7,9H2,1-2H3
InChIKeyXBUUNIYGORUPPW-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 106704306
3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 107167855
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634110
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 104584522
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (CID 103902325) is 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is COc1cccc(C2CC(NC(C)CC(F)(F)F)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The InChIKey is XBUUNIYGORUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(9-15(16,17)18)19-13-6-12(7-13)11-4-3-5-14(8-11)20-2/h3-5,8,10,12-13,19H,6-7,9H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 103902325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).