(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

C10H13BrN2O — CID 143663551

IUPAC(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESCc1cc(Br)c2c(c1)OCC(CN)N2
InChIInChI=1S/C10H13BrN2O/c1-6-2-8(11)10-9(3-6)14-5-7(4-12)13-10/h2-3,7,13H,4-5,12H2,1H3
InChIKeyWBDMGIKCLMBNRH-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.89
Rot. Bonds1

About (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (PubChem CID 143663551) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
PubChem CID143663551
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESCc1cc(Br)c2c(c1)OCC(CN)N2
InChIInChI=1S/C10H13BrN2O/c1-6-2-8(11)10-9(3-6)14-5-7(4-12)13-10/h2-3,7,13H,4-5,12H2,1H3
InChIKeyWBDMGIKCLMBNRH-UHFFFAOYSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The IUPAC name of (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (CID 143663551) is (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.
What is the SMILES notation for (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The canonical SMILES for (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is Cc1cc(Br)c2c(c1)OCC(CN)N2.
What is the InChIKey of (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The InChIKey is WBDMGIKCLMBNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6-2-8(11)10-9(3-6)14-5-7(4-12)13-10/h2-3,7,13H,4-5,12H2,1H3.
What are the key properties of (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
(5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine has a molecular weight of 257.13 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is sourced from PubChem (CID 143663551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).