(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone

C12H14BrNO2 — CID 18960596

IUPAC(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)ccc1Br
InChIInChI=1S/C12H14BrNO2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeySGINYRFXUUMFLE-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.23
Rot. Bonds1

About (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone

(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 18960596) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
PubChem CID18960596
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)ccc1Br
InChIInChI=1S/C12H14BrNO2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeySGINYRFXUUMFLE-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(4-bromo-3-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314340
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
CID 115769535
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone (CID 18960596) is (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is SGINYRFXUUMFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone?
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 284.15 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 18960596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).