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

C14H20FNO2 — CID 113470358

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H20FNO2/c1-14(2,9-17-3)16-8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12,16H,7-9H2,1-3H3
InChIKeyCLYZEYVIQQEHQY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.14
Rot. Bonds5

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine (PubChem CID 113470358) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
PubChem CID113470358
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H20FNO2/c1-14(2,9-17-3)16-8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12,16H,7-9H2,1-3H3
InChIKeyCLYZEYVIQQEHQY-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine (CID 113470358) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The InChIKey is CLYZEYVIQQEHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,9-17-3)16-8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12,16H,7-9H2,1-3H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine has a molecular weight of 253.32 g/mol, XLogP of 2.14, 5 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-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 113470358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).