N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H15F3N2O — CID 62428425

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCc1ccc(CN(CC(F)(F)F)C2CC2)o1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)7-16(8-1-2-8)6-10-4-3-9(5-15)17-10/h3-4,8H,1-2,5-7,15H2
InChIKeyBJHMSANPJYABCQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.27
Rot. Bonds5

About N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62428425) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62428425
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCc1ccc(CN(CC(F)(F)F)C2CC2)o1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)7-16(8-1-2-8)6-10-4-3-9(5-15)17-10/h3-4,8H,1-2,5-7,15H2
InChIKeyBJHMSANPJYABCQ-UHFFFAOYSA-N
XLogP2.27
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62428425) is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NCc1ccc(CN(CC(F)(F)F)C2CC2)o1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is BJHMSANPJYABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)7-16(8-1-2-8)6-10-4-3-9(5-15)17-10/h3-4,8H,1-2,5-7,15H2.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 248.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).