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

C15H20FNO2 — CID 114629599

IUPAC3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO2/c1-15(2)13(7-14(15)18)17-8-11-6-9-5-10(16)3-4-12(9)19-11/h3-5,11,13-14,17-18H,6-8H2,1-2H3
InChIKeyRIDGYGDJKIAHEU-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.88
Rot. Bonds3

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

3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629599) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629599
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO2/c1-15(2)13(7-14(15)18)17-8-11-6-9-5-10(16)3-4-12(9)19-11/h3-5,11,13-14,17-18H,6-8H2,1-2H3
InChIKeyRIDGYGDJKIAHEU-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629610
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212461
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 66364114
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 66363148
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 66363325
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 114629599) is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is RIDGYGDJKIAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2)13(7-14(15)18)17-8-11-6-9-5-10(16)3-4-12(9)19-11/h3-5,11,13-14,17-18H,6-8H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 265.33 g/mol, XLogP of 1.88, 3 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]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).