N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine

C22H25NO2 — CID 2182487

IUPACN-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine
SMILESCN(CCOCCOc1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C22H25NO2/c1-23(18-19-7-3-2-4-8-19)13-14-24-15-16-25-22-12-11-20-9-5-6-10-21(20)17-22/h2-12,17H,13-16,18H2,1H3
InChIKeyNUPKHJHZBWQOOF-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.37
Rot. Bonds9

About N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine

N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine (PubChem CID 2182487) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine
PubChem CID2182487
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine
SMILESCN(CCOCCOc1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C22H25NO2/c1-23(18-19-7-3-2-4-8-19)13-14-24-15-16-25-22-12-11-20-9-5-6-10-21(20)17-22/h2-12,17H,13-16,18H2,1H3
InChIKeyNUPKHJHZBWQOOF-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine (CID 2182487) is N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine is CN(CCOCCOc1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine?
The InChIKey is NUPKHJHZBWQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-23(18-19-7-3-2-4-8-19)13-14-24-15-16-25-22-12-11-20-9-5-6-10-21(20)17-22/h2-12,17H,13-16,18H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine?
N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-naphthalen-2-yloxyethoxy)ethanamine is sourced from PubChem (CID 2182487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).