1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine

C15H23BrN2O — CID 82971718

IUPAC1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1N1CC(C)OCC1C
InChIInChI=1S/C15H23BrN2O/c1-10-9-19-11(2)8-18(10)15-6-5-13(16)7-14(15)12(3)17-4/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyPCLCYEXNFAGPJL-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.34
Rot. Bonds3

About 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine

1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine (PubChem CID 82971718) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
PubChem CID82971718
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1N1CC(C)OCC1C
InChIInChI=1S/C15H23BrN2O/c1-10-9-19-11(2)8-18(10)15-6-5-13(16)7-14(15)12(3)17-4/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyPCLCYEXNFAGPJL-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
CID 82967971
1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine
CID 82955018
1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 82968673
1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 82956437
[4-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
CID 81204225
(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine
CID 90460659
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 43544807
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 43544700
1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 82968937
2-bromo-4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzonitrile
CID 107533240
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine (CID 82971718) is 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1N1CC(C)OCC1C.
What is the InChIKey of 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The InChIKey is PCLCYEXNFAGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10-9-19-11(2)8-18(10)15-6-5-13(16)7-14(15)12(3)17-4/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of 1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.34, 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-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82971718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).