1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine

C12H14FNO — CID 65439621

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H14FNO/c1-3-10(14-2)11-7-8-5-4-6-9(13)12(8)15-11/h4-7,10,14H,3H2,1-2H3
InChIKeyWBFSHAHUYFKHGP-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.24
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine

1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine (PubChem CID 65439621) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
PubChem CID65439621
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H14FNO/c1-3-10(14-2)11-7-8-5-4-6-9(13)12(8)15-11/h4-7,10,14H,3H2,1-2H3
InChIKeyWBFSHAHUYFKHGP-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 116690943
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105225526
[2-butan-2-ylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227309
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine (CID 65439621) is 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine is CCC(NC)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The InChIKey is WBFSHAHUYFKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-10(14-2)11-7-8-5-4-6-9(13)12(8)15-11/h4-7,10,14H,3H2,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine has a molecular weight of 207.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 65439621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).