4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine

C11H16N2O — CID 82345521

IUPAC4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESCCCN1CCOc2cccc(N)c21
InChIInChI=1S/C11H16N2O/c1-2-6-13-7-8-14-10-5-3-4-9(12)11(10)13/h3-5H,2,6-8,12H2,1H3
InChIKeyUILZYAMGIAMEOT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds2

About 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine

4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine (PubChem CID 82345521) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine.

Molecular Properties

Compound Name4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
PubChem CID82345521
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESCCCN1CCOc2cccc(N)c21
InChIInChI=1S/C11H16N2O/c1-2-6-13-7-8-14-10-5-3-4-9(12)11(10)13/h3-5H,2,6-8,12H2,1H3
InChIKeyUILZYAMGIAMEOT-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The IUPAC name of 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine (CID 82345521) is 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine.
What is the SMILES notation for 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The canonical SMILES for 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine is CCCN1CCOc2cccc(N)c21.
What is the InChIKey of 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
The InChIKey is UILZYAMGIAMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-6-13-7-8-14-10-5-3-4-9(12)11(10)13/h3-5H,2,6-8,12H2,1H3.
What are the key properties of 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine?
4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine has a molecular weight of 192.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine is sourced from PubChem (CID 82345521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).