6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one

C13H17BrN2O2 — CID 115068056

IUPAC6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CN)CN(Cc2ccccc2Br)C(=O)CO1
InChIInChI=1S/C13H17BrN2O2/c1-13(8-15)9-16(12(17)7-18-13)6-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyQZBPWBQDGAUVMF-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.53
Rot. Bonds3

About 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one

6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one (PubChem CID 115068056) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
PubChem CID115068056
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CN)CN(Cc2ccccc2Br)C(=O)CO1
InChIInChI=1S/C13H17BrN2O2/c1-13(8-15)9-16(12(17)7-18-13)6-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyQZBPWBQDGAUVMF-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
CID 115068259
6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one
CID 115068043
4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064492
4-[(2-bromophenyl)methyl]-5-oxomorpholine-2-carboxylic acid
CID 115060390
1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 60975356
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
CID 115068104
1-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64884573
1-[(2-bromophenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688744
S-[1-[(2-bromophenyl)methyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706174
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76907862
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one (CID 115068056) is 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one is CC1(CN)CN(Cc2ccccc2Br)C(=O)CO1.
What is the InChIKey of 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one?
The InChIKey is QZBPWBQDGAUVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(8-15)9-16(12(17)7-18-13)6-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3.
What are the key properties of 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one?
6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one has a molecular weight of 313.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 115068056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).