(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine

C12H17BrN2O2 — CID 90456850

IUPAC(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine
SMILESCCOc1ncc(Br)cc1N1CCOC[C@H]1C
InChIInChI=1S/C12H17BrN2O2/c1-3-17-12-11(6-10(13)7-14-12)15-4-5-16-8-9(15)2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyDEYHOVFKHLVTJB-SECBINFHSA-N
MW301.18 g/mol
LogP2.47
Rot. Bonds3

About (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine

(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine (PubChem CID 90456850) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine
PubChem CID90456850
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine
SMILESCCOc1ncc(Br)cc1N1CCOC[C@H]1C
InChIInChI=1S/C12H17BrN2O2/c1-3-17-12-11(6-10(13)7-14-12)15-4-5-16-8-9(15)2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyDEYHOVFKHLVTJB-SECBINFHSA-N
XLogP2.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(5-bromo-2-methoxyphenyl)-3-methylmorpholine
CID 175067337
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
[4-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 81246555
1-[5-bromo-2-(3-methylmorpholin-4-yl)phenyl]ethanone
CID 82967588
4-ethoxy-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
CID 103360444
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
2-[(9-bromo-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-yl)oxy]ethanol
CID 129248710
4-(5-bromo-2-cyclohexyloxy-3-pyridinyl)morpholine
CID 167395778
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
4-(5-bromo-2-pyridinyl)-3-ethylmorpholine
CID 61375479
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine?
The IUPAC name of (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine (CID 90456850) is (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine.
What is the SMILES notation for (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine?
The canonical SMILES for (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine is CCOc1ncc(Br)cc1N1CCOC[C@H]1C.
What is the InChIKey of (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine?
The InChIKey is DEYHOVFKHLVTJB-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-17-12-11(6-10(13)7-14-12)15-4-5-16-8-9(15)2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine?
(3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine has a molecular weight of 301.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-bromo-2-ethoxy-3-pyridinyl)-3-methylmorpholine is sourced from PubChem (CID 90456850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).