3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine

C15H23NO3 — CID 116685856

IUPAC3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine
SMILESCOc1ccc(CCC2COCC(C)N2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-11-9-19-10-13(16-11)6-4-12-5-7-14(17-2)8-15(12)18-3/h5,7-8,11,13,16H,4,6,9-10H2,1-3H3
InChIKeyKJNJBCSARNVYOX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.01
Rot. Bonds5

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

3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine (PubChem CID 116685856) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine
PubChem CID116685856
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine
SMILESCOc1ccc(CCC2COCC(C)N2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-11-9-19-10-13(16-11)6-4-12-5-7-14(17-2)8-15(12)18-3/h5,7-8,11,13,16H,4,6,9-10H2,1-3H3
InChIKeyKJNJBCSARNVYOX-UHFFFAOYSA-N
XLogP2.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-dione
CID 165345675
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
CID 64507317
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
CID 20519799
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine (CID 116685856) is 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine is COc1ccc(CCC2COCC(C)N2)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine?
The InChIKey is KJNJBCSARNVYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-9-19-10-13(16-11)6-4-12-5-7-14(17-2)8-15(12)18-3/h5,7-8,11,13,16H,4,6,9-10H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine?
3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine has a molecular weight of 265.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine is sourced from PubChem (CID 116685856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).