3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine

C14H21NO — CID 82285891

IUPAC3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine
SMILESCc1ccc(CCC2COCC(C)N2)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-13(6-4-11)7-8-14-10-16-9-12(2)15-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyHJGQCMPGAJBYCI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.30
Rot. Bonds3

About 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine

3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine (PubChem CID 82285891) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine
PubChem CID82285891
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine
SMILESCc1ccc(CCC2COCC(C)N2)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-13(6-4-11)7-8-14-10-16-9-12(2)15-14/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeyHJGQCMPGAJBYCI-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-ethylphenyl)ethyl]-5-methylmorpholine
CID 116685903
3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine
CID 116685857
3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine
CID 116685856
3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine
CID 82291329
3-[(3,5-dimethylphenoxy)methyl]-5-methylmorpholine
CID 82291344
2-(5-methylmorpholin-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685478
3,5-dimethylmorpholine
CID 8862
3-[2-(4-methylphenyl)ethyl]-6-oxabicyclo[3.1.1]heptane
CID 177054467
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine
CID 82298646
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127
3-(2-phenylethyl)morpholine
CID 54013840

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine?
The IUPAC name of 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine (CID 82285891) is 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine.
What is the SMILES notation for 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine?
The canonical SMILES for 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine is Cc1ccc(CCC2COCC(C)N2)cc1.
What is the InChIKey of 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine?
The InChIKey is HJGQCMPGAJBYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-5-13(6-4-11)7-8-14-10-16-9-12(2)15-14/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine?
3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine has a molecular weight of 219.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine is sourced from PubChem (CID 82285891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).