3,4-dihydro-2H-1,4-benzoxazin-7-amine

C8H10N2O — CID 11480537

IUPAC3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H10N2O/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4,9H2
InChIKeyXEMWHIJWZOJWNP-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.07
Rot. Bonds

About 3,4-dihydro-2H-1,4-benzoxazin-7-amine

3,4-dihydro-2H-1,4-benzoxazin-7-amine (PubChem CID 11480537) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-7-amine
PubChem CID11480537
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCCN2
InChIInChI=1S/C8H10N2O/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4,9H2
InChIKeyXEMWHIJWZOJWNP-UHFFFAOYSA-N
XLogP1.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.07
H-Bond Donors ≤ 52
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 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-7-amine (CID 11480537) is 3,4-dihydro-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-7-amine is Nc1ccc2c(c1)OCCN2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
The InChIKey is XEMWHIJWZOJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4,9H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-7-amine?
3,4-dihydro-2H-1,4-benzoxazin-7-amine has a molecular weight of 150.18 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 11480537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).