[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine

C13H16F3NO — CID 117401401

IUPAC[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-18-11-4-3-9(7-10(11)13(14,15)16)12(8-17)5-2-6-12/h3-4,7H,2,5-6,8,17H2,1H3
InChIKeyRXERNBIEFZLIKV-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.09
Rot. Bonds3

About [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine

[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117401401) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117401401
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-18-11-4-3-9(7-10(11)13(14,15)16)12(8-17)5-2-6-12/h3-4,7H,2,5-6,8,17H2,1H3
InChIKeyRXERNBIEFZLIKV-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 117401425
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
CID 117333712
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217

Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine (CID 117401401) is [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine is COc1ccc(C2(CN)CCC2)cc1C(F)(F)F.
What is the InChIKey of [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is RXERNBIEFZLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-18-11-4-3-9(7-10(11)13(14,15)16)12(8-17)5-2-6-12/h3-4,7H,2,5-6,8,17H2,1H3.
What are the key properties of [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117401401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).