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

C14H14F3NO — CID 24700728

IUPACN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-10(18-9-13-3-2-8-19-13)11-4-6-12(7-5-11)14(15,16)17/h2-8,10,18H,9H2,1H3
InChIKeyZEDZPOWHZLTPMY-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.15
Rot. Bonds4

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

N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 24700728) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID24700728
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c1-10(18-9-13-3-2-8-19-13)11-4-6-12(7-5-11)14(15,16)17/h2-8,10,18H,9H2,1H3
InChIKeyZEDZPOWHZLTPMY-UHFFFAOYSA-N
XLogP4.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816650
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetonitrile
CID 86782131
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
1-(4-cyclopentylsulfonylphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 86779412
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 24700728) is N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCc1ccco1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ZEDZPOWHZLTPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-10(18-9-13-3-2-8-19-13)11-4-6-12(7-5-11)14(15,16)17/h2-8,10,18H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 4.15, 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]ethanamine is sourced from PubChem (CID 24700728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).