1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine

C15H24N2O — CID 83100798

IUPAC1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O/c1-12-6-13(2)8-14(7-12)10-17-4-5-18-11-15(17)9-16-3/h6-8,15-16H,4-5,9-11H2,1-3H3
InChIKeyDLYNNDOOMQDGSQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.72
Rot. Bonds4

About 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine

1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine (PubChem CID 83100798) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
PubChem CID83100798
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O/c1-12-6-13(2)8-14(7-12)10-17-4-5-18-11-15(17)9-16-3/h6-8,15-16H,4-5,9-11H2,1-3H3
InChIKeyDLYNNDOOMQDGSQ-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine (CID 83100798) is 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The InChIKey is DLYNNDOOMQDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-13(2)8-14(7-12)10-17-4-5-18-11-15(17)9-16-3/h6-8,15-16H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83100798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).