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

C10H10F3NO2 — CID 84696405

IUPACN-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine
SMILESCNCc1c(C(F)(F)F)ccc2c1OCO2
InChIInChI=1S/C10H10F3NO2/c1-14-4-6-7(10(11,12)13)2-3-8-9(6)16-5-15-8/h2-3,14H,4-5H2,1H3
InChIKeyKJNLBARIRMIHJP-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.15
Rot. Bonds2

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

N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine (PubChem CID 84696405) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine
PubChem CID84696405
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine
SMILESCNCc1c(C(F)(F)F)ccc2c1OCO2
InChIInChI=1S/C10H10F3NO2/c1-14-4-6-7(10(11,12)13)2-3-8-9(6)16-5-15-8/h2-3,14H,4-5H2,1H3
InChIKeyKJNLBARIRMIHJP-UHFFFAOYSA-N
XLogP2.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
CID 84696406
2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
CID 84706927
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 84692547
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
CID 117435342
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-amine
CID 117406699
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanal
CID 117404235
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
3-amino-2-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]propanoic acid
CID 117443751
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
CID 84667457
1-(1,3-benzodioxol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 3769404
4,5-dimethyl-1,3-benzodioxole
CID 12958464
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine (CID 84696405) is N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine is CNCc1c(C(F)(F)F)ccc2c1OCO2.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine?
The InChIKey is KJNLBARIRMIHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14-4-6-7(10(11,12)13)2-3-8-9(6)16-5-15-8/h2-3,14H,4-5H2,1H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine?
N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine has a molecular weight of 233.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine is sourced from PubChem (CID 84696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).