3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine

C21H24N2O2 — CID 11782656

IUPAC3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine
SMILESCOc1cccc2c(CCCNCCOc3ccccn3)cccc12
InChIInChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
InChIKeyDFNUNBHMMOZMON-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.84
Rot. Bonds9

About 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine

3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine (PubChem CID 11782656) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine
PubChem CID11782656
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine
SMILESCOc1cccc2c(CCCNCCOc3ccccn3)cccc12
InChIInChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
InChIKeyDFNUNBHMMOZMON-UHFFFAOYSA-N
XLogP3.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-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 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
The IUPAC name of 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine (CID 11782656) is 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine is COc1cccc2c(CCCNCCOc3ccccn3)cccc12.
What is the InChIKey of 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
The InChIKey is DFNUNBHMMOZMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3.
What are the key properties of 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine has a molecular weight of 336.44 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxynaphthalen-1-yl)-N-(2-pyridin-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 11782656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).