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

C14H15BrF3NO — CID 102653732

IUPACN-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H15BrF3NO/c1-2-19-13(12-4-3-7-20-12)10-8-9(14(16,17)18)5-6-11(10)15/h4-6,8,13,19H,2-3,7H2,1H3
InChIKeyPXHVGESVZUNSGN-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.42
Rot. Bonds4

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

N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine (PubChem CID 102653732) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
PubChem CID102653732
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC NameN-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H15BrF3NO/c1-2-19-13(12-4-3-7-20-12)10-8-9(14(16,17)18)5-6-11(10)15/h4-6,8,13,19H,2-3,7H2,1H3
InChIKeyPXHVGESVZUNSGN-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102652042
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 102653265
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylprop-2-yn-1-amine
CID 104995389
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylhex-4-yn-1-amine
CID 105037112
N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
CID 114030284
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethyl-3-methylpentan-1-amine
CID 115846100
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylpent-3-yn-1-amine
CID 115819252
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine (CID 102653732) is N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine is CCNC(C1=CCCO1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The InChIKey is PXHVGESVZUNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c1-2-19-13(12-4-3-7-20-12)10-8-9(14(16,17)18)5-6-11(10)15/h4-6,8,13,19H,2-3,7H2,1H3.
What are the key properties of N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine has a molecular weight of 350.18 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 102653732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).