3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine

C16H21NO — CID 10263828

IUPAC3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13,17H,6,11-12H2,1-2H3
InChIKeyGWFGPUOJJHYUTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.61
Rot. Bonds6

About 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine

3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine (PubChem CID 10263828) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
PubChem CID10263828
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13,17H,6,11-12H2,1-2H3
InChIKeyGWFGPUOJJHYUTD-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yloxy-N-propan-2-ylpropan-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-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine (CID 10263828) is 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
The InChIKey is GWFGPUOJJHYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13,17H,6,11-12H2,1-2H3.
What are the key properties of 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?
3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 10263828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).