(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone

C13H16BrNO2 — CID 106832539

IUPAC(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCOC[C@H]2C)c(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-9-3-4-11(12(14)7-9)13(16)15-5-6-17-8-10(15)2/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyWRCSJGVTQPYORZ-SNVBAGLBSA-N
MW298.18 g/mol
LogP2.62
Rot. Bonds1

About (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone

(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 106832539) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID106832539
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCOC[C@H]2C)c(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-9-3-4-11(12(14)7-9)13(16)15-5-6-17-8-10(15)2/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyWRCSJGVTQPYORZ-SNVBAGLBSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
[2-bromo-5-(trifluoromethyl)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832465
(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
5-iodo-2-[(3R)-3-methylmorpholine-4-carbonyl]benzamide
CID 69149147
[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone
CID 107941454
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
[4-bromo-3-(trifluoromethyl)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832464
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 107932193
(2-bromo-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103848525

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 106832539) is (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone is Cc1ccc(C(=O)N2CCOC[C@H]2C)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is WRCSJGVTQPYORZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-3-4-11(12(14)7-9)13(16)15-5-6-17-8-10(15)2/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 298.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 106832539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).