2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

C15H22BrFN2O — CID 79663557

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCC(C)N1CCOC(C(N)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C15H22BrFN2O/c1-10(2)19-5-6-20-15(9-19)14(18)8-11-3-4-13(17)12(16)7-11/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3
InChIKeyBYNHJKVXTFHHAH-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (PubChem CID 79663557) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
PubChem CID79663557
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCC(C)N1CCOC(C(N)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C15H22BrFN2O/c1-10(2)19-5-6-20-15(9-19)14(18)8-11-3-4-13(17)12(16)7-11/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3
InChIKeyBYNHJKVXTFHHAH-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663107
2-(3-bromo-4-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963811
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922361
2-(2-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665755
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663116
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666279
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 65352808
[(3,4-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248107
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665193

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (CID 79663557) is 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is CC(C)N1CCOC(C(N)Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The InChIKey is BYNHJKVXTFHHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-10(2)19-5-6-20-15(9-19)14(18)8-11-3-4-13(17)12(16)7-11/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine has a molecular weight of 345.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79663557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).