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

C12H17BrN2O — CID 84643450

IUPAC1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
SMILESCNCC1Oc2cc(Br)ccc2N(C)C1C
InChIInChI=1S/C12H17BrN2O/c1-8-12(7-14-2)16-11-6-9(13)4-5-10(11)15(8)3/h4-6,8,12,14H,7H2,1-3H3
InChIKeyNQQXOFFJCVKPAE-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.25
Rot. Bonds2

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

1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine (PubChem CID 84643450) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
PubChem CID84643450
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
SMILESCNCC1Oc2cc(Br)ccc2N(C)C1C
InChIInChI=1S/C12H17BrN2O/c1-8-12(7-14-2)16-11-6-9(13)4-5-10(11)15(8)3/h4-6,8,12,14H,7H2,1-3H3
InChIKeyNQQXOFFJCVKPAE-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 84643449
1-(6-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84627911
1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643683
2-(6-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylethanamine
CID 84629148
1-(6-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84643714
1-[1-(4-bromo-2-methylphenyl)-4,6-dimethylpiperazin-2-yl]-N-methylmethanamine
CID 84607264
3,4-dimethyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid
CID 84639462
6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048942
(2S)-5-bromo-2-methyl-1,3-benzodioxole
CID 67447010
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
(2S,3R)-8-(dimethylamino)-3,5-dimethyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
CID 71759935
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316871

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine (CID 84643450) is 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine is CNCC1Oc2cc(Br)ccc2N(C)C1C.
What is the InChIKey of 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The InChIKey is NQQXOFFJCVKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-12(7-14-2)16-11-6-9(13)4-5-10(11)15(8)3/h4-6,8,12,14H,7H2,1-3H3.
What are the key properties of 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine?
1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine has a molecular weight of 285.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84643450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).