2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide

C14H19FN2O2 — CID 66363325

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCC1Cc2cc(F)ccc2O1)C(=O)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-9(14(18)17(2)3)16-8-12-7-10-6-11(15)4-5-13(10)19-12/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyOCOZUAHCCKVEMW-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.20
Rot. Bonds4

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

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 66363325) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID66363325
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCC1Cc2cc(F)ccc2O1)C(=O)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-9(14(18)17(2)3)16-8-12-7-10-6-11(15)4-5-13(10)19-12/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyOCOZUAHCCKVEMW-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]butan-2-amine
CID 66363891
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
2-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108672
(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
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanoic acid
CID 66365503
(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]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide (CID 66363325) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide is CC(NCC1Cc2cc(F)ccc2O1)C(=O)N(C)C.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is OCOZUAHCCKVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(14(18)17(2)3)16-8-12-7-10-6-11(15)4-5-13(10)19-12/h4-6,9,12,16H,7-8H2,1-3H3.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66363325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).