N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H14F3NO2 — CID 115465964

IUPACN-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFC(F)(F)Oc1cccc(NC2CCCc3occc32)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-11-4-1-3-10(9-11)19-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13,19H,2,5-6H2
InChIKeyJSOCCZYVKHMAFV-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.67
Rot. Bonds3

About N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115465964) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115465964
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFC(F)(F)Oc1cccc(NC2CCCc3occc32)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-11-4-1-3-10(9-11)19-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13,19H,2,5-6H2
InChIKeyJSOCCZYVKHMAFV-UHFFFAOYSA-N
XLogP4.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115465981
N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466063
N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
3-N,3-N,4-trimethyl-1-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzene-1,3-diamine
CID 115466645
N-[2-(trifluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466100
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60899392
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
CID 115465939
2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
CID 115466125
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115465964) is N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is FC(F)(F)Oc1cccc(NC2CCCc3occc32)c1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is JSOCCZYVKHMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)21-11-4-1-3-10(9-11)19-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13,19H,2,5-6H2.
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 297.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115465964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).