N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine

C17H28N2O — CID 63058724

IUPACN-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1N1CC(C)OC(C)C1
InChIInChI=1S/C17H28N2O/c1-13(2)9-18-10-16-7-5-6-8-17(16)19-11-14(3)20-15(4)12-19/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyPLKGBYHZYMIEEP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds5

About N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63058724) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63058724
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1N1CC(C)OC(C)C1
InChIInChI=1S/C17H28N2O/c1-13(2)9-18-10-16-7-5-6-8-17(16)19-11-14(3)20-15(4)12-19/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyPLKGBYHZYMIEEP-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 63058724) is N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccccc1N1CC(C)OC(C)C1.
What is the InChIKey of N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PLKGBYHZYMIEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)9-18-10-16-7-5-6-8-17(16)19-11-14(3)20-15(4)12-19/h5-8,13-15,18H,9-12H2,1-4H3.
What are the key properties of N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63058724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).