N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine

C15H20FNO2 — CID 66364286

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1Cc2cc(F)ccc2O1)C1CCCO1
InChIInChI=1S/C15H20FNO2/c1-10(14-3-2-6-18-14)17-9-13-8-11-7-12(16)4-5-15(11)19-13/h4-5,7,10,13-14,17H,2-3,6,8-9H2,1H3
InChIKeyLXQNLQGNZNERHO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.29
Rot. Bonds4

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 66364286) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID66364286
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1Cc2cc(F)ccc2O1)C1CCCO1
InChIInChI=1S/C15H20FNO2/c1-10(14-3-2-6-18-14)17-9-13-8-11-7-12(16)4-5-15(11)19-13/h4-5,7,10,13-14,17H,2-3,6,8-9H2,1H3
InChIKeyLXQNLQGNZNERHO-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
1-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpentan-3-amine
CID 106353817
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 66363325
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364235
(1R)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409531
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364691
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 66364286) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCC1Cc2cc(F)ccc2O1)C1CCCO1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is LXQNLQGNZNERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(14-3-2-6-18-14)17-9-13-8-11-7-12(16)4-5-15(11)19-13/h4-5,7,10,13-14,17H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 265.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 66364286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).