(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone

C19H20BrNO2 — CID 110644011

IUPAC(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C19H20BrNO2/c1-14-13-23-18(10-15-6-3-2-4-7-15)12-21(14)19(22)16-8-5-9-17(20)11-16/h2-9,11,14,18H,10,12-13H2,1H3
InChIKeyLSWUVIZPDOJRSG-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.92
Rot. Bonds3

About (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone

(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone (PubChem CID 110644011) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
PubChem CID110644011
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C19H20BrNO2/c1-14-13-23-18(10-15-6-3-2-4-7-15)12-21(14)19(22)16-8-5-9-17(20)11-16/h2-9,11,14,18H,10,12-13H2,1H3
InChIKeyLSWUVIZPDOJRSG-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
[3-(chloromethyl)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203352
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 81214136
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
CID 110643999
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone?
The IUPAC name of (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone (CID 110644011) is (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone.
What is the SMILES notation for (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone?
The canonical SMILES for (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone is CC1COC(Cc2ccccc2)CN1C(=O)c1cccc(Br)c1.
What is the InChIKey of (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone?
The InChIKey is LSWUVIZPDOJRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-14-13-23-18(10-15-6-3-2-4-7-15)12-21(14)19(22)16-8-5-9-17(20)11-16/h2-9,11,14,18H,10,12-13H2,1H3.
What are the key properties of (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone?
(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone has a molecular weight of 374.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone is sourced from PubChem (CID 110644011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).