2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine

C17H21NO — CID 55649204

IUPAC2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
SMILESCC1(C)CN(Cc2cccc3ccccc23)CCO1
InChIInChI=1S/C17H21NO/c1-17(2)13-18(10-11-19-17)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-13H2,1-2H3
InChIKeyZQBFSLDLWXEXBG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.45
Rot. Bonds2

About 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine

2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine (PubChem CID 55649204) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
PubChem CID55649204
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
SMILESCC1(C)CN(Cc2cccc3ccccc23)CCO1
InChIInChI=1S/C17H21NO/c1-17(2)13-18(10-11-19-17)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-13H2,1-2H3
InChIKeyZQBFSLDLWXEXBG-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine 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 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine?
The IUPAC name of 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine (CID 55649204) is 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine.
What is the SMILES notation for 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine?
The canonical SMILES for 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine is CC1(C)CN(Cc2cccc3ccccc23)CCO1.
What is the InChIKey of 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine?
The InChIKey is ZQBFSLDLWXEXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2)13-18(10-11-19-17)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine?
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine has a molecular weight of 255.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine is sourced from PubChem (CID 55649204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).