(4-methylphenyl)-morpholin-4-ylmethaneselone

C12H15NOSe — CID 4294133

IUPAC(4-methylphenyl)-morpholin-4-ylmethaneselone
SMILESCc1ccc(C(=[Se])N2CCOCC2)cc1
InChIInChI=1S/C12H15NOSe/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3
InChIKeyOWZWESZMCMQGSW-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.97
Rot. Bonds2

About (4-methylphenyl)-morpholin-4-ylmethaneselone

(4-methylphenyl)-morpholin-4-ylmethaneselone (PubChem CID 4294133) has the molecular formula C12H15NOSe and a molecular weight of 268.22 g/mol. Its IUPAC name is (4-methylphenyl)-morpholin-4-ylmethaneselone.

Molecular Properties

Compound Name(4-methylphenyl)-morpholin-4-ylmethaneselone
PubChem CID4294133
Molecular FormulaC12H15NOSe
Molecular Weight268.22 g/mol
Exact Mass269.03
IUPAC Name(4-methylphenyl)-morpholin-4-ylmethaneselone
SMILESCc1ccc(C(=[Se])N2CCOCC2)cc1
InChIInChI=1S/C12H15NOSe/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3
InChIKeyOWZWESZMCMQGSW-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625
(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 87662755
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
[1-[(4-methylbenzoyl)amino]-2-morpholin-4-yl-2-oxoethyl]phosphonic acid
CID 71687823
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-[N-(2,2-dichloroethenyl)-C-(4-methylphenyl)carbonimidoyl]morpholine-4-carbothioamide
CID 4224571
N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
CID 115575680
[3-(morpholine-4-carbothioyl)phenyl] 4-methylbenzoate
CID 799900
1-(4-methylphenyl)-2-pyrrolidin-1-yl-2-selanylideneethanone
CID 15310511

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-morpholin-4-ylmethaneselone?
The IUPAC name of (4-methylphenyl)-morpholin-4-ylmethaneselone (CID 4294133) is (4-methylphenyl)-morpholin-4-ylmethaneselone.
What is the SMILES notation for (4-methylphenyl)-morpholin-4-ylmethaneselone?
The canonical SMILES for (4-methylphenyl)-morpholin-4-ylmethaneselone is Cc1ccc(C(=[Se])N2CCOCC2)cc1.
What is the InChIKey of (4-methylphenyl)-morpholin-4-ylmethaneselone?
The InChIKey is OWZWESZMCMQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOSe/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (4-methylphenyl)-morpholin-4-ylmethaneselone?
(4-methylphenyl)-morpholin-4-ylmethaneselone has a molecular weight of 268.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-morpholin-4-ylmethaneselone is sourced from PubChem (CID 4294133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).