[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine

C14H18F3NO2 — CID 117467251

IUPAC[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)cc(C(F)(F)F)c1OC
InChIInChI=1S/C14H18F3NO2/c1-19-11-7-9(13(8-18)4-3-5-13)6-10(12(11)20-2)14(15,16)17/h6-7H,3-5,8,18H2,1-2H3
InChIKeyORXQRXBOHUWBFS-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.10
Rot. Bonds4

About [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine

[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117467251) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117467251
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)cc(C(F)(F)F)c1OC
InChIInChI=1S/C14H18F3NO2/c1-19-11-7-9(13(8-18)4-3-5-13)6-10(12(11)20-2)14(15,16)17/h6-7H,3-5,8,18H2,1-2H3
InChIKeyORXQRXBOHUWBFS-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117408710
N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine
CID 68606690
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117488347
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260

Frequently Asked Questions

What is the IUPAC name of [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine (CID 117467251) is [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine is COc1cc(C2(CN)CCC2)cc(C(F)(F)F)c1OC.
What is the InChIKey of [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is ORXQRXBOHUWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-19-11-7-9(13(8-18)4-3-5-13)6-10(12(11)20-2)14(15,16)17/h6-7H,3-5,8,18H2,1-2H3.
What are the key properties of [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117467251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).