[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine

C13H14F3NO2 — CID 117435342

IUPAC[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
SMILESNCC1(c2c(C(F)(F)F)ccc3c2OCO3)CCC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)8-2-3-9-11(19-7-18-9)10(8)12(6-17)4-1-5-12/h2-3H,1,4-7,17H2
InChIKeyJANXQEKTPUUQQF-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.81
Rot. Bonds2

About [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine

[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine (PubChem CID 117435342) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
PubChem CID117435342
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
SMILESNCC1(c2c(C(F)(F)F)ccc3c2OCO3)CCC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)8-2-3-9-11(19-7-18-9)10(8)12(6-17)4-1-5-12/h2-3H,1,4-7,17H2
InChIKeyJANXQEKTPUUQQF-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117387219
4-[1-(aminomethyl)cyclopentyl]-1,3-benzodioxol-5-ol
CID 117342196
[1-(5-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117376470
[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117369668
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
[1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117397545
[5-[1-(aminomethyl)cyclobutyl]-1,3-benzodioxol-4-yl]boronic acid
CID 117375091
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
[1-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]cyclobutyl]methanamine
CID 117463419
[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117338504
2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
CID 84706927
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117396517

Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine (CID 117435342) is [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine is NCC1(c2c(C(F)(F)F)ccc3c2OCO3)CCC1.
What is the InChIKey of [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine?
The InChIKey is JANXQEKTPUUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)8-2-3-9-11(19-7-18-9)10(8)12(6-17)4-1-5-12/h2-3H,1,4-7,17H2.
What are the key properties of [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine?
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine has a molecular weight of 273.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine is sourced from PubChem (CID 117435342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).