2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

C10H14N2O — CID 82229766

IUPAC2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCc1cc(N)cc2c1OC(C)CN2
InChIInChI=1S/C10H14N2O/c1-6-3-8(11)4-9-10(6)13-7(2)5-12-9/h3-4,7,12H,5,11H2,1-2H3
InChIKeyBFJNKVAAESQGHT-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.77
Rot. Bonds

About 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine

2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (PubChem CID 82229766) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
PubChem CID82229766
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESCc1cc(N)cc2c1OC(C)CN2
InChIInChI=1S/C10H14N2O/c1-6-3-8(11)4-9-10(6)13-7(2)5-12-9/h3-4,7,12H,5,11H2,1-2H3
InChIKeyBFJNKVAAESQGHT-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.77
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 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine (CID 82229766) is 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is Cc1cc(N)cc2c1OC(C)CN2.
What is the InChIKey of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The InChIKey is BFJNKVAAESQGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-3-8(11)4-9-10(6)13-7(2)5-12-9/h3-4,7,12H,5,11H2,1-2H3.
What are the key properties of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine has a molecular weight of 178.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine is sourced from PubChem (CID 82229766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).