2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine

C16H25NO2 — CID 50950380

IUPAC2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccc(C)cc1)CC1CCOC1
InChIInChI=1S/C16H25NO2/c1-14-3-5-15(6-4-14)11-17(8-10-18-2)12-16-7-9-19-13-16/h3-6,16H,7-13H2,1-2H3
InChIKeyRUHUEPNEEPASNA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.48
Rot. Bonds7

About 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine

2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 50950380) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID50950380
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccc(C)cc1)CC1CCOC1
InChIInChI=1S/C16H25NO2/c1-14-3-5-15(6-4-14)11-17(8-10-18-2)12-16-7-9-19-13-16/h3-6,16H,7-13H2,1-2H3
InChIKeyRUHUEPNEEPASNA-UHFFFAOYSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine 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 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine (CID 50950380) is 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine is COCCN(Cc1ccc(C)cc1)CC1CCOC1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is RUHUEPNEEPASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-3-5-15(6-4-14)11-17(8-10-18-2)12-16-7-9-19-13-16/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)methyl]-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 50950380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).