(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone

C18H18BrNO2 — CID 110369319

IUPAC(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCC1COC(c2ccccc2)CN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-13-12-22-17(14-5-3-2-4-6-14)11-20(13)18(21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3
InChIKeyJYBKDHUXEABAJK-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.05
Rot. Bonds2

About (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone

(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone (PubChem CID 110369319) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
PubChem CID110369319
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCC1COC(c2ccccc2)CN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-13-12-22-17(14-5-3-2-4-6-14)11-20(13)18(21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3
InChIKeyJYBKDHUXEABAJK-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456
[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97184797
[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 96551221
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
2-[4-[(2S,5R)-5-methyl-2-phenylmorpholine-4-carbonyl]triazol-1-yl]acetic acid
CID 166303132
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 119769860

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone (CID 110369319) is (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone is CC1COC(c2ccccc2)CN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone?
The InChIKey is JYBKDHUXEABAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-13-12-22-17(14-5-3-2-4-6-14)11-20(13)18(21)15-7-9-16(19)10-8-15/h2-10,13,17H,11-12H2,1H3.
What are the key properties of (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone?
(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone has a molecular weight of 360.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 110369319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).