2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine

C17H28N2O — CID 79668869

IUPAC2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2ccc(C)c(C)c2)NC)C1
InChIInChI=1S/C17H28N2O/c1-5-19-8-9-20-17(12-19)16(18-4)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,5,8-9,11-12H2,1-4H3
InChIKeyOUXCANBTPCCXQI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.15
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine

2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine (PubChem CID 79668869) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
PubChem CID79668869
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2ccc(C)c(C)c2)NC)C1
InChIInChI=1S/C17H28N2O/c1-5-19-8-9-20-17(12-19)16(18-4)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,5,8-9,11-12H2,1-4H3
InChIKeyOUXCANBTPCCXQI-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 103040274
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093851
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748739
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 105374147
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79667132
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79665908
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459
1-(4-ethylmorpholin-2-yl)-N-methyldecan-1-amine
CID 79666534
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 79974507

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine (CID 79668869) is 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine is CCN1CCOC(C(Cc2ccc(C)c(C)c2)NC)C1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The InChIKey is OUXCANBTPCCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19-8-9-20-17(12-19)16(18-4)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79668869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).