2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine

C15H22BrFN2O — CID 79667132

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2cc(Br)ccc2F)NC)C1
InChIInChI=1S/C15H22BrFN2O/c1-3-19-6-7-20-15(10-19)14(18-2)9-11-8-12(16)4-5-13(11)17/h4-5,8,14-15,18H,3,6-7,9-10H2,1-2H3
InChIKeyDIBCGQWBWMWSFP-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.44
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine (PubChem CID 79667132) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
PubChem CID79667132
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2cc(Br)ccc2F)NC)C1
InChIInChI=1S/C15H22BrFN2O/c1-3-19-6-7-20-15(10-19)14(18-2)9-11-8-12(16)4-5-13(11)17/h4-5,8,14-15,18H,3,6-7,9-10H2,1-2H3
InChIKeyDIBCGQWBWMWSFP-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 103040274
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79668869
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 114856460
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
2-(2,6-difluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 114932414
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 105374147
[2-(2,6-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247727
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748739
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine (CID 79667132) is 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine is CCN1CCOC(C(Cc2cc(Br)ccc2F)NC)C1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The InChIKey is DIBCGQWBWMWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-3-19-6-7-20-15(10-19)14(18-2)9-11-8-12(16)4-5-13(11)17/h4-5,8,14-15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine has a molecular weight of 345.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79667132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).