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

C11H15FN2O — CID 83397563

IUPAC3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESNCCCN1CCOc2cc(F)ccc21
InChIInChI=1S/C11H15FN2O/c12-9-2-3-10-11(8-9)15-7-6-14(10)5-1-4-13/h2-3,8H,1,4-7,13H2
InChIKeyLTSRMGGZYIXRJH-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.37
Rot. Bonds3

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

3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (PubChem CID 83397563) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
PubChem CID83397563
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESNCCCN1CCOc2cc(F)ccc21
InChIInChI=1S/C11H15FN2O/c12-9-2-3-10-11(8-9)15-7-6-14(10)5-1-4-13/h2-3,8H,1,4-7,13H2
InChIKeyLTSRMGGZYIXRJH-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The IUPAC name of 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (CID 83397563) is 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The canonical SMILES for 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is NCCCN1CCOc2cc(F)ccc21.
What is the InChIKey of 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The InChIKey is LTSRMGGZYIXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-2-3-10-11(8-9)15-7-6-14(10)5-1-4-13/h2-3,8H,1,4-7,13H2.
What are the key properties of 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine has a molecular weight of 210.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is sourced from PubChem (CID 83397563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).