1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine

C10H13BrN2O — CID 84636424

IUPAC1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
SMILESCNCC1COc2c(Br)cccc2N1
InChIInChI=1S/C10H13BrN2O/c1-12-5-7-6-14-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6H2,1H3
InChIKeyYZVWLXDUQUJEIW-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.84
Rot. Bonds2

About 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine

1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine (PubChem CID 84636424) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
PubChem CID84636424
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
SMILESCNCC1COc2c(Br)cccc2N1
InChIInChI=1S/C10H13BrN2O/c1-12-5-7-6-14-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6H2,1H3
InChIKeyYZVWLXDUQUJEIW-UHFFFAOYSA-N
XLogP1.84
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 84619164
3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 84618499
1-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84635562
2-(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84618680
8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 177141875
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
(5-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol;ethane
CID 91192897
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753333
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
methyl 3-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
CID 67374009

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine (CID 84636424) is 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine is CNCC1COc2c(Br)cccc2N1.
What is the InChIKey of 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine?
The InChIKey is YZVWLXDUQUJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-12-5-7-6-14-10-8(11)3-2-4-9(10)13-7/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine?
1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine has a molecular weight of 257.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84636424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).