2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine

C13H19BrN2O2 — CID 107396660

IUPAC2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2ccc(Br)nc2)C1
InChIInChI=1S/C13H19BrN2O2/c1-10(2)16-5-6-17-12(8-16)9-18-11-3-4-13(14)15-7-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyBXOJWVRSNBGKON-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.33
Rot. Bonds4

About 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine

2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine (PubChem CID 107396660) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
PubChem CID107396660
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2ccc(Br)nc2)C1
InChIInChI=1S/C13H19BrN2O2/c1-10(2)16-5-6-17-12(8-16)9-18-11-3-4-13(14)15-7-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyBXOJWVRSNBGKON-UHFFFAOYSA-N
XLogP2.33
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
3-bromo-5-[(4-propan-2-ylmorpholin-2-yl)methoxy]aniline
CID 103588191
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine
CID 116805390
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 64532520
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334
(2R)-2-[(4-bromophenoxy)methyl]-4-propylmorpholine
CID 99979881
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine (CID 107396660) is 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(COc2ccc(Br)nc2)C1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine?
The InChIKey is BXOJWVRSNBGKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-10(2)16-5-6-17-12(8-16)9-18-11-3-4-13(14)15-7-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine?
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine has a molecular weight of 315.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 107396660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).