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

C16H24FNO — CID 66362244

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-4-7-16(2,11-18-3)10-14-9-12-8-13(17)5-6-15(12)19-14/h5-6,8,14,18H,4,7,9-11H2,1-3H3
InChIKeyGRZISAIIOPTSHO-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.55
Rot. Bonds6

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

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 66362244) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID66362244
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-4-7-16(2,11-18-3)10-14-9-12-8-13(17)5-6-15(12)19-14/h5-6,8,14,18H,4,7,9-11H2,1-3H3
InChIKeyGRZISAIIOPTSHO-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 66362436
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine
CID 66360894
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 83149361
N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 66360317
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
CID 66393326
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915990
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66363911
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 113470358

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine (CID 66362244) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is GRZISAIIOPTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-7-16(2,11-18-3)10-14-9-12-8-13(17)5-6-15(12)19-14/h5-6,8,14,18H,4,7,9-11H2,1-3H3.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 66362244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).