1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

C15H24N2O — CID 79093840

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CN(C)CCO1
InChIInChI=1S/C15H24N2O/c1-11-5-6-13(9-12(11)2)15(16-3)14-10-17(4)7-8-18-14/h5-6,9,14-16H,7-8,10H2,1-4H3
InChIKeyVYLJIYWJULEABE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.89
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79093840) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79093840
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CN(C)CCO1
InChIInChI=1S/C15H24N2O/c1-11-5-6-13(9-12(11)2)15(16-3)14-10-17(4)7-8-18-14/h5-6,9,14-16H,7-8,10H2,1-4H3
InChIKeyVYLJIYWJULEABE-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine (CID 79093840) is 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is CNC(c1ccc(C)c(C)c1)C1CN(C)CCO1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is VYLJIYWJULEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-13(9-12(11)2)15(16-3)14-10-17(4)7-8-18-14/h5-6,9,14-16H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79093840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).