1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine

C15H24N2O — CID 61432642

IUPAC1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1N1CCOCC1(C)C
InChIInChI=1S/C15H24N2O/c1-12(16-4)13-7-5-6-8-14(13)17-9-10-18-11-15(17,2)3/h5-8,12,16H,9-11H2,1-4H3
InChIKeyVEEBKDDYIJHHCR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.58
Rot. Bonds3

About 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine

1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine (PubChem CID 61432642) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
PubChem CID61432642
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1N1CCOCC1(C)C
InChIInChI=1S/C15H24N2O/c1-12(16-4)13-7-5-6-8-14(13)17-9-10-18-11-15(17,2)3/h5-8,12,16H,9-11H2,1-4H3
InChIKeyVEEBKDDYIJHHCR-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine (CID 61432642) is 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine is CNC(C)c1ccccc1N1CCOCC1(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
The InChIKey is VEEBKDDYIJHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(16-4)13-7-5-6-8-14(13)17-9-10-18-11-15(17,2)3/h5-8,12,16H,9-11H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine?
1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 61432642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).