N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine

C17H20FNO2 — CID 114728732

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)C1CC2CCC1O2
InChIInChI=1S/C17H20FNO2/c1-2-19-17(13-9-12-4-6-15(13)20-12)16-8-10-7-11(18)3-5-14(10)21-16/h3,5,7-8,12-13,15,17,19H,2,4,6,9H2,1H3
InChIKeyCDEVPVRJJPTRGZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.79
Rot. Bonds4

About N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine

N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine (PubChem CID 114728732) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
PubChem CID114728732
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)C1CC2CCC1O2
InChIInChI=1S/C17H20FNO2/c1-2-19-17(13-9-12-4-6-15(13)20-12)16-8-10-7-11(18)3-5-14(10)21-16/h3,5,7-8,12-13,15,17,19H,2,4,6,9H2,1H3
InChIKeyCDEVPVRJJPTRGZ-UHFFFAOYSA-N
XLogP3.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728721
1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728720
N-[(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106881551
N-[(4-bromo-3-chloro-2-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106762534
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-6-yl)methyl]ethanamine
CID 81228401
2-(3,5-difluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 105406187
N-[7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81228399
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
N-[(5-fluoro-1-benzofuran-2-yl)-(thian-2-yl)methyl]propan-1-amine
CID 114730343
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 115493603
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine (CID 114728732) is N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine is CCNC(c1cc2cc(F)ccc2o1)C1CC2CCC1O2.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
The InChIKey is CDEVPVRJJPTRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-19-17(13-9-12-4-6-15(13)20-12)16-8-10-7-11(18)3-5-14(10)21-16/h3,5,7-8,12-13,15,17,19H,2,4,6,9H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine?
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine is sourced from PubChem (CID 114728732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).