N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine

C13H12F3NO — CID 106887171

IUPACN-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H12F3NO/c1-2-17-7-11-8(5-6-18-11)9-3-4-10(14)13(16)12(9)15/h3-6,17H,2,7H2,1H3
InChIKeyRUTQYZZLFHDXOV-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.47
Rot. Bonds4

About N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine

N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887171) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine
PubChem CID106887171
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C13H12F3NO/c1-2-17-7-11-8(5-6-18-11)9-3-4-10(14)13(16)12(9)15/h3-6,17H,2,7H2,1H3
InChIKeyRUTQYZZLFHDXOV-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
CID 106888958
N-[[3-(furan-2-yl)furan-2-yl]methyl]ethanamine
CID 106887249
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
CID 106887026
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
CID 106887400
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 79756384
N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine
CID 106888311
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842
N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887708
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
2-(ethylaminomethyl)furan-3-carbonitrile
CID 106887931
N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine (CID 106887171) is N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1ccc(F)c(F)c1F.
What is the InChIKey of N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is RUTQYZZLFHDXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-2-17-7-11-8(5-6-18-11)9-3-4-10(14)13(16)12(9)15/h3-6,17H,2,7H2,1H3.
What are the key properties of N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine?
N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).