(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

C11H15BrN2O — CID 84641520

IUPAC(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESCC1C(CN)Oc2c(Br)cccc2N1C
InChIInChI=1S/C11H15BrN2O/c1-7-10(6-13)15-11-8(12)4-3-5-9(11)14(7)2/h3-5,7,10H,6,13H2,1-2H3
InChIKeyVSZTZPJFHYTNNK-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.99
Rot. Bonds1

About (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (PubChem CID 84641520) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.

Molecular Properties

Compound Name(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
PubChem CID84641520
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
SMILESCC1C(CN)Oc2c(Br)cccc2N1C
InChIInChI=1S/C11H15BrN2O/c1-7-10(6-13)15-11-8(12)4-3-5-9(11)14(7)2/h3-5,7,10H,6,13H2,1-2H3
InChIKeyVSZTZPJFHYTNNK-UHFFFAOYSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The IUPAC name of (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine (CID 84641520) is (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine.
What is the SMILES notation for (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The canonical SMILES for (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is CC1C(CN)Oc2c(Br)cccc2N1C.
What is the InChIKey of (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
The InChIKey is VSZTZPJFHYTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-10(6-13)15-11-8(12)4-3-5-9(11)14(7)2/h3-5,7,10H,6,13H2,1-2H3.
What are the key properties of (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine?
(8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine has a molecular weight of 271.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine is sourced from PubChem (CID 84641520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).