1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C13H12F3NO — CID 60980661

IUPAC1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1ccoc1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)12-4-2-1-3-11(12)8-17-7-10-5-6-18-9-10/h1-6,9,17H,7-8H2
InChIKeyXILKPACJVRBGMQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.59
Rot. Bonds4

About 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 60980661) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID60980661
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1ccoc1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)12-4-2-1-3-11(12)8-17-7-10-5-6-18-9-10/h1-6,9,17H,7-8H2
InChIKeyXILKPACJVRBGMQ-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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Related Compounds

1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 79494954
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
1-(1,3-benzodioxol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 3769404
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104796903
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 60980661) is 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccccc1CNCc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is XILKPACJVRBGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)12-4-2-1-3-11(12)8-17-7-10-5-6-18-9-10/h1-6,9,17H,7-8H2.
What are the key properties of 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]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 1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 60980661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).