2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine

C16H22FNO2 — CID 114731348

IUPAC2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H22FNO2/c1-5-16(3,19-6-2)15(18-4)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15,18H,5-6H2,1-4H3
InChIKeyYLROBLVWAMMKRH-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.04
Rot. Bonds6

About 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine

2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine (PubChem CID 114731348) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
PubChem CID114731348
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H22FNO2/c1-5-16(3,19-6-2)15(18-4)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15,18H,5-6H2,1-4H3
InChIKeyYLROBLVWAMMKRH-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine (CID 114731348) is 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine is CCOC(C)(CC)C(NC)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is YLROBLVWAMMKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-5-16(3,19-6-2)15(18-4)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15,18H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine?
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114731348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).