3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol

C14H18FNO2 — CID 66363729

IUPAC3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNCC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C14H18FNO2/c15-11-1-2-14-10(5-11)6-13(18-14)8-16-7-9-3-12(17)4-9/h1-2,5,9,12-13,16-17H,3-4,6-8H2
InChIKeyBYSHVOKXPUHQLO-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.49
Rot. Bonds4

About 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol

3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66363729) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66363729
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNCC2Cc3cc(F)ccc3O2)C1
InChIInChI=1S/C14H18FNO2/c15-11-1-2-14-10(5-11)6-13(18-14)8-16-7-9-3-12(17)4-9/h1-2,5,9,12-13,16-17H,3-4,6-8H2
InChIKeyBYSHVOKXPUHQLO-UHFFFAOYSA-N
XLogP1.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
2-chloro-2-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361291
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
CID 107230638
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629599
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 66364150
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 66365861
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol (CID 66363729) is 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol is OC1CC(CNCC2Cc3cc(F)ccc3O2)C1.
What is the InChIKey of 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is BYSHVOKXPUHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-1-2-14-10(5-11)6-13(18-14)8-16-7-9-3-12(17)4-9/h1-2,5,9,12-13,16-17H,3-4,6-8H2.
What are the key properties of 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol?
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 251.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66363729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).