1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

C13H18BrFN2O — CID 79739614

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1cc(Br)ccc1F)C1CN(C)CCO1
InChIInChI=1S/C13H18BrFN2O/c1-16-13(12-8-17(2)5-6-18-12)10-7-9(14)3-4-11(10)15/h3-4,7,12-13,16H,5-6,8H2,1-2H3
InChIKeyZNNFNEGSVKNEFB-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.18
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79739614) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79739614
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1cc(Br)ccc1F)C1CN(C)CCO1
InChIInChI=1S/C13H18BrFN2O/c1-16-13(12-8-17(2)5-6-18-12)10-7-9(14)3-4-11(10)15/h3-4,7,12-13,16H,5-6,8H2,1-2H3
InChIKeyZNNFNEGSVKNEFB-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244468
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 106942771
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 82770581
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093840
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459
N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 79094970
1-(2,5-dimethoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79092776
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998070
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79092957
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79093449

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (CID 79739614) is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is CNC(c1cc(Br)ccc1F)C1CN(C)CCO1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is ZNNFNEGSVKNEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-16-13(12-8-17(2)5-6-18-12)10-7-9(14)3-4-11(10)15/h3-4,7,12-13,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 317.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79739614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).