3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine

C11H14FNO — CID 19611649

IUPAC3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
SMILESNCCCc1ccc(F)c2c1CCO2
InChIInChI=1S/C11H14FNO/c12-10-4-3-8(2-1-6-13)9-5-7-14-11(9)10/h3-4H,1-2,5-7,13H2
InChIKeyLDENQSMARXHKNB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.65
Rot. Bonds3

About 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine

3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine (PubChem CID 19611649) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
PubChem CID19611649
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
SMILESNCCCc1ccc(F)c2c1CCO2
InChIInChI=1S/C11H14FNO/c12-10-4-3-8(2-1-6-13)9-5-7-14-11(9)10/h3-4H,1-2,5-7,13H2
InChIKeyLDENQSMARXHKNB-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
The IUPAC name of 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine (CID 19611649) is 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine.
What is the SMILES notation for 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
The canonical SMILES for 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine is NCCCc1ccc(F)c2c1CCO2.
What is the InChIKey of 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
The InChIKey is LDENQSMARXHKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-4-3-8(2-1-6-13)9-5-7-14-11(9)10/h3-4H,1-2,5-7,13H2.
What are the key properties of 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine has a molecular weight of 195.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine is sourced from PubChem (CID 19611649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).