5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine

C11H16F3NO — CID 105023879

IUPAC5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1coc(C)c1
InChIInChI=1S/C11H16F3NO/c1-8-6-9(7-16-8)10(15-2)4-3-5-11(12,13)14/h6-7,10,15H,3-5H2,1-2H3
InChIKeyBBTOQJWSPOWXLZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.58
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine (PubChem CID 105023879) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
PubChem CID105023879
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1coc(C)c1
InChIInChI=1S/C11H16F3NO/c1-8-6-9(7-16-8)10(15-2)4-3-5-11(12,13)14/h6-7,10,15H,3-5H2,1-2H3
InChIKeyBBTOQJWSPOWXLZ-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine 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

N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
CID 115846501
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 105024061
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592
2-ethoxy-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105007859
1-(5-chlorofuran-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 106692847
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine (CID 105023879) is 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine is CNC(CCCC(F)(F)F)c1coc(C)c1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine?
The InChIKey is BBTOQJWSPOWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8-6-9(7-16-8)10(15-2)4-3-5-11(12,13)14/h6-7,10,15H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine is sourced from PubChem (CID 105023879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).