1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride

C12H17ClFNO — CID 170890851

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(F)cc2c1OCC2.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-2-11(14)7-9-6-10(13)5-8-3-4-15-12(8)9;/h5-6,11H,2-4,7,14H2,1H3;1H
InChIKeyINBNGIFJUAHAGB-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.46
Rot. Bonds3

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride

1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride (PubChem CID 170890851) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride
PubChem CID170890851
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc(F)cc2c1OCC2.Cl
InChIInChI=1S/C12H16FNO.ClH/c1-2-11(14)7-9-6-10(13)5-8-3-4-15-12(8)9;/h5-6,11H,2-4,7,14H2,1H3;1H
InChIKeyINBNGIFJUAHAGB-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride (CID 170890851) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride is CCC(N)Cc1cc(F)cc2c1OCC2.Cl.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride?
The InChIKey is INBNGIFJUAHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c1-2-11(14)7-9-6-10(13)5-8-3-4-15-12(8)9;/h5-6,11H,2-4,7,14H2,1H3;1H.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride?
1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).