N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine

C14H15F4NO — CID 102652042

IUPACN-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H15F4NO/c1-2-19-13(12-4-3-7-20-12)10-8-9(15)5-6-11(10)14(16,17)18/h4-6,8,13,19H,2-3,7H2,1H3
InChIKeyRKQMAHGQJONLFG-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.80
Rot. Bonds4

About N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine

N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 102652042) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID102652042
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H15F4NO/c1-2-19-13(12-4-3-7-20-12)10-8-9(15)5-6-11(10)14(16,17)18/h4-6,8,13,19H,2-3,7H2,1H3
InChIKeyRKQMAHGQJONLFG-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653732
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
CID 114030284
N-[2,3-dihydrofuran-5-yl-(6-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653288
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 102653265
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 102652042) is N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(C1=CCCO1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is RKQMAHGQJONLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-2-19-13(12-4-3-7-20-12)10-8-9(15)5-6-11(10)14(16,17)18/h4-6,8,13,19H,2-3,7H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 289.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102652042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).