(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C14H18BrNO2 — CID 103932969

IUPAC(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc(Br)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H18BrNO2/c1-9-4-5-13(15)12(6-9)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyDPERTUSMGSZRQE-PHIMTYICSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds1

About (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 103932969) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID103932969
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc(Br)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H18BrNO2/c1-9-4-5-13(15)12(6-9)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyDPERTUSMGSZRQE-PHIMTYICSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3S,4S)-1-(2-bromo-5-methylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085401
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
2-[1-(2-bromo-5-methylbenzoyl)azetidin-3-yl]acetic acid
CID 81111025
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(2-bromo-5-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427506
(2-bromo-5-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 81111440
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959905
[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 125139796
(2-bromo-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81112363
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 17446861
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 103932969) is (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is Cc1ccc(Br)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is DPERTUSMGSZRQE-PHIMTYICSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-4-5-13(15)12(6-9)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3/t10-,11+.
What are the key properties of (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 312.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 103932969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).