(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C14H18BrNO2 — CID 104851930

IUPAC(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(Br)cc(C(=O)N2CC(C)OCC2C)c1
InChIInChI=1S/C14H18BrNO2/c1-9-4-12(6-13(15)5-9)14(17)16-7-11(3)18-8-10(16)2/h4-6,10-11H,7-8H2,1-3H3
InChIKeyBTXNPOZRCZGLES-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds1

About (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone

(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 104851930) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID104851930
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(Br)cc(C(=O)N2CC(C)OCC2C)c1
InChIInChI=1S/C14H18BrNO2/c1-9-4-12(6-13(15)5-9)14(17)16-7-11(3)18-8-10(16)2/h4-6,10-11H,7-8H2,1-3H3
InChIKeyBTXNPOZRCZGLES-UHFFFAOYSA-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

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Related Compounds

(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620
(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641681
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641682
[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 63185405
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 104851930) is (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone is Cc1cc(Br)cc(C(=O)N2CC(C)OCC2C)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is BTXNPOZRCZGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-4-12(6-13(15)5-9)14(17)16-7-11(3)18-8-10(16)2/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(3-bromo-5-methylphenyl)-(2,5-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 (3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 104851930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).