2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine

C12H17BrN2O — CID 84643449

IUPAC2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
SMILESCC1C(CCN)Oc2cc(Br)ccc2N1C
InChIInChI=1S/C12H17BrN2O/c1-8-11(5-6-14)16-12-7-9(13)3-4-10(12)15(8)2/h3-4,7-8,11H,5-6,14H2,1-2H3
InChIKeyZWDGIHMRYACQFM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.38
Rot. Bonds2

About 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine

2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine (PubChem CID 84643449) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
PubChem CID84643449
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
SMILESCC1C(CCN)Oc2cc(Br)ccc2N1C
InChIInChI=1S/C12H17BrN2O/c1-8-11(5-6-14)16-12-7-9(13)3-4-10(12)15(8)2/h3-4,7-8,11H,5-6,14H2,1-2H3
InChIKeyZWDGIHMRYACQFM-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The IUPAC name of 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine (CID 84643449) is 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine is CC1C(CCN)Oc2cc(Br)ccc2N1C.
What is the InChIKey of 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
The InChIKey is ZWDGIHMRYACQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-11(5-6-14)16-12-7-9(13)3-4-10(12)15(8)2/h3-4,7-8,11H,5-6,14H2,1-2H3.
What are the key properties of 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine?
2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine has a molecular weight of 285.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine is sourced from PubChem (CID 84643449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).