3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine

C15H23NO — CID 116685903

IUPAC3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine
SMILESCCc1ccc(CCC2COCC(C)N2)cc1
InChIInChI=1S/C15H23NO/c1-3-13-4-6-14(7-5-13)8-9-15-11-17-10-12(2)16-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyHBIPWQNBSQUQCB-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.56
Rot. Bonds4

About 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine

3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine (PubChem CID 116685903) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine
PubChem CID116685903
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine
SMILESCCc1ccc(CCC2COCC(C)N2)cc1
InChIInChI=1S/C15H23NO/c1-3-13-4-6-14(7-5-13)8-9-15-11-17-10-12(2)16-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyHBIPWQNBSQUQCB-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine
CID 82285891
3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine
CID 116685857
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine
CID 82298646
(2S,5R)-2-[2-(3,4-difluorophenyl)ethyl]-5-methylpyrrolidine
CID 70897405
1-(4-ethoxyphenyl)-2-(5-methylmorpholin-3-yl)ethanol
CID 116685480
3-(2-phenylethyl)morpholine
CID 54013840
4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
CID 106900686
4-[2-(4-ethylphenyl)ethyl]-1-methylsilinane
CID 174398139
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine?
The IUPAC name of 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine (CID 116685903) is 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine.
What is the SMILES notation for 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine?
The canonical SMILES for 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine is CCc1ccc(CCC2COCC(C)N2)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine?
The InChIKey is HBIPWQNBSQUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13-4-6-14(7-5-13)8-9-15-11-17-10-12(2)16-15/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine?
3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine has a molecular weight of 233.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine is sourced from PubChem (CID 116685903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).