4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine

C16H17BrN2O — CID 133354201

IUPAC4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
SMILESCc1ccccc1C1CN(c2ccc(Br)cn2)CCO1
InChIInChI=1S/C16H17BrN2O/c1-12-4-2-3-5-14(12)15-11-19(8-9-20-15)16-7-6-13(17)10-18-16/h2-7,10,15H,8-9,11H2,1H3
InChIKeyOQBPGKRVIMBNSZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.73
Rot. Bonds2

About 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine

4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine (PubChem CID 133354201) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
PubChem CID133354201
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
SMILESCc1ccccc1C1CN(c2ccc(Br)cn2)CCO1
InChIInChI=1S/C16H17BrN2O/c1-12-4-2-3-5-14(12)15-11-19(8-9-20-15)16-7-6-13(17)10-18-16/h2-7,10,15H,8-9,11H2,1H3
InChIKeyOQBPGKRVIMBNSZ-UHFFFAOYSA-N
XLogP3.73
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-pyridinyl)-2-(methoxymethyl)morpholine
CID 71996193
2-(2-bromophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469570
2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 133354297
N-ethyl-N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479780
4-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95273837
6-(5-bromo-2-pyridinyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364559
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133354231
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
CID 133354117
2-(5-bromo-2-pyridinyl)-4-methylmorpholine
CID 66509867
[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133354115
3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine (CID 133354201) is 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine is Cc1ccccc1C1CN(c2ccc(Br)cn2)CCO1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine?
The InChIKey is OQBPGKRVIMBNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-4-2-3-5-14(12)15-11-19(8-9-20-15)16-7-6-13(17)10-18-16/h2-7,10,15H,8-9,11H2,1H3.
What are the key properties of 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine?
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine has a molecular weight of 333.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine is sourced from PubChem (CID 133354201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).