N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H17FN2O — CID 103777362

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)c1cncc(F)c1
InChIInChI=1S/C15H17FN2O/c1-10(11-7-12(16)9-17-8-11)18-14-3-2-4-15-13(14)5-6-19-15/h5-10,14,18H,2-4H2,1H3
InChIKeyIDWSWYXCHMONCM-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 103777362) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID103777362
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)c1cncc(F)c1
InChIInChI=1S/C15H17FN2O/c1-10(11-7-12(16)9-17-8-11)18-14-3-2-4-15-13(14)5-6-19-15/h5-10,14,18H,2-4H2,1H3
InChIKeyIDWSWYXCHMONCM-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466614
N-[(1S)-1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466604
N-[1-(4-fluorophenyl)-2-methylpropyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466136
N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208303
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103777387
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43771911
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777433
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466137
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466625
N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63992432
N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43173501

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 103777362) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(NC1CCCc2occc21)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is IDWSWYXCHMONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(11-7-12(16)9-17-8-11)18-14-3-2-4-15-13(14)5-6-19-15/h5-10,14,18H,2-4H2,1H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 260.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 103777362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).