N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine

C14H14F3NO2 — CID 6457238

IUPACN-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
SMILESFC(F)(F)c1cccc(OCCNCc2ccco2)c1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)11-3-1-4-12(9-11)20-8-6-18-10-13-5-2-7-19-13/h1-5,7,9,18H,6,8,10H2
InChIKeyCHKZYTHUNWCXKE-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.47
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine

N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 6457238) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
PubChem CID6457238
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
SMILESFC(F)(F)c1cccc(OCCNCc2ccco2)c1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)11-3-1-4-12(9-11)20-8-6-18-10-13-5-2-7-19-13/h1-5,7,9,18H,6,8,10H2
InChIKeyCHKZYTHUNWCXKE-UHFFFAOYSA-N
XLogP3.47
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine 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

2-[[3-(trifluoromethyl)phenoxy]methyl]furan
CID 101055355
N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;oxalic acid
CID 16614040
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 54797964
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62573014
N',N'-dimethyl-N-[3-[3-(trifluoromethyl)phenoxy]propyl]ethane-1,2-diamine
CID 2966014
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine (CID 6457238) is N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine is FC(F)(F)c1cccc(OCCNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is CHKZYTHUNWCXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)11-3-1-4-12(9-11)20-8-6-18-10-13-5-2-7-19-13/h1-5,7,9,18H,6,8,10H2.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine?
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 285.26 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 6457238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).