N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine

C13H12F3NO — CID 3944388

IUPACN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)11-5-3-10(4-6-11)8-17-9-12-2-1-7-18-12/h1-7,17H,8-9H2
InChIKeyKHLYZRHZQLLCMK-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.59
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine

N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 3944388) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID3944388
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)11-5-3-10(4-6-11)8-17-9-12-2-1-7-18-12/h1-7,17H,8-9H2
InChIKeyKHLYZRHZQLLCMK-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine (CID 3944388) is N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KHLYZRHZQLLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)11-5-3-10(4-6-11)8-17-9-12-2-1-7-18-12/h1-7,17H,8-9H2.
What are the key properties of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 3944388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).