[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine

C13H16F3NO — CID 117401404

IUPAC[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCOc1ccc(C(F)(F)F)cc1C1(CN)CCC1
InChIInChI=1S/C13H16F3NO/c1-18-11-4-3-9(13(14,15)16)7-10(11)12(8-17)5-2-6-12/h3-4,7H,2,5-6,8,17H2,1H3
InChIKeyDLLGIRNEEMTCOT-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.09
Rot. Bonds3

About [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine

[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117401404) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117401404
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCOc1ccc(C(F)(F)F)cc1C1(CN)CCC1
InChIInChI=1S/C13H16F3NO/c1-18-11-4-3-9(13(14,15)16)7-10(11)12(8-17)5-2-6-12/h3-4,7H,2,5-6,8,17H2,1H3
InChIKeyDLLGIRNEEMTCOT-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-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720
[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine
CID 116829597
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
[1-(2,5-dichloro-3-methoxyphenyl)cyclobutyl]methanamine
CID 117404130
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185

Frequently Asked Questions

What is the IUPAC name of [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine (CID 117401404) is [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine is COc1ccc(C(F)(F)F)cc1C1(CN)CCC1.
What is the InChIKey of [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is DLLGIRNEEMTCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-18-11-4-3-9(13(14,15)16)7-10(11)12(8-17)5-2-6-12/h3-4,7H,2,5-6,8,17H2,1H3.
What are the key properties of [1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[2-methoxy-5-(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-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117401404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).