1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine

C12H14FNO — CID 65438463

IUPAC1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h4-7,10H,2-3,14H2,1H3
InChIKeyAFHYLNONRNYOIO-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.37
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65438463) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
PubChem CID65438463
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H14FNO/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h4-7,10H,2-3,14H2,1H3
InChIKeyAFHYLNONRNYOIO-UHFFFAOYSA-N
XLogP3.37
TPSA39.16 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-2-furanmethanamine
CID 11993871
5-(2-Aminopropyl)benzofuran
CID 9837232
2-Benzo[b]furan-3-ylethylamine
CID 12420812
1-(1-Benzofuran-2-yl)ethan-1-amine
CID 3164026
6-(2-Aminopropyl)benzofuran
CID 9794343
4-(2-Aminopropyl)benzofuran
CID 10130546
7-(2-Aminopropyl)benzofuran
CID 10130548
6-Mapb
CID 122202866
2-(Aminomethyl)benzofuran
CID 19079348
(2R)-1-(1-benzofuran-6-yl)-N-methylpropan-2-amine
CID 125181384
(2S)-1-(1-benzofuran-6-yl)-N-methylpropan-2-amine
CID 125181385
3-Mapb
CID 117194718

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine (CID 65438463) is 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is AFHYLNONRNYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-3-10(14)12-7-8-6-9(13)4-5-11(8)15-12/h4-7,10H,2-3,14H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 207.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65438463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).