N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H17F3N2O — CID 55073675

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cc(CN)co1)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-2-3-16(8-11(12,13)14)6-10-4-9(5-15)7-17-10/h4,7H,2-3,5-6,8,15H2,1H3
InChIKeyZXCHGLOSZNTTRI-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.51
Rot. Bonds6

About N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55073675) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55073675
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cc(CN)co1)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-2-3-16(8-11(12,13)14)6-10-4-9(5-15)7-17-10/h4,7H,2-3,5-6,8,15H2,1H3
InChIKeyZXCHGLOSZNTTRI-UHFFFAOYSA-N
XLogP2.51
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55073675) is N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1cc(CN)co1)CC(F)(F)F.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZXCHGLOSZNTTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-3-16(8-11(12,13)14)6-10-4-9(5-15)7-17-10/h4,7H,2-3,5-6,8,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 250.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55073675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).