1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

C13H17BrF2N2O — CID 106942771

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1c(F)ccc(Br)c1F)C1CN(C)CCO1
InChIInChI=1S/C13H17BrF2N2O/c1-17-13(10-7-18(2)5-6-19-10)11-9(15)4-3-8(14)12(11)16/h3-4,10,13,17H,5-7H2,1-2H3
InChIKeyAJMAJEIILCWCFR-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 106942771) has the molecular formula C13H17BrF2N2O and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID106942771
Molecular FormulaC13H17BrF2N2O
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1c(F)ccc(Br)c1F)C1CN(C)CCO1
InChIInChI=1S/C13H17BrF2N2O/c1-17-13(10-7-18(2)5-6-19-10)11-9(15)4-3-8(14)12(11)16/h3-4,10,13,17H,5-7H2,1-2H3
InChIKeyAJMAJEIILCWCFR-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79739614
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244468
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 106942370
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093840
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 82770581
N-[(3-bromo-2,6-difluorophenyl)-(oxan-2-yl)methyl]ethanamine
CID 106944673
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-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (CID 106942771) is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is CNC(c1c(F)ccc(Br)c1F)C1CN(C)CCO1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is AJMAJEIILCWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O/c1-17-13(10-7-18(2)5-6-19-10)11-9(15)4-3-8(14)12(11)16/h3-4,10,13,17H,5-7H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 335.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 106942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).