3-naphthalen-1-yloxypropan-1-amine

C13H15NO — CID 14566707

IUPAC3-naphthalen-1-yloxypropan-1-amine
SMILESNCCCOc1cccc2ccccc12
InChIInChI=1S/C13H15NO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,14H2
InChIKeyXZFFMGFSKCIBAO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.57
Rot. Bonds4

About 3-naphthalen-1-yloxypropan-1-amine

3-naphthalen-1-yloxypropan-1-amine (PubChem CID 14566707) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-naphthalen-1-yloxypropan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxypropan-1-amine
PubChem CID14566707
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-naphthalen-1-yloxypropan-1-amine
SMILESNCCCOc1cccc2ccccc12
InChIInChI=1S/C13H15NO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,14H2
InChIKeyXZFFMGFSKCIBAO-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-naphthalen-1-yloxypropan-1-amine?
The IUPAC name of 3-naphthalen-1-yloxypropan-1-amine (CID 14566707) is 3-naphthalen-1-yloxypropan-1-amine.
What is the SMILES notation for 3-naphthalen-1-yloxypropan-1-amine?
The canonical SMILES for 3-naphthalen-1-yloxypropan-1-amine is NCCCOc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yloxypropan-1-amine?
The InChIKey is XZFFMGFSKCIBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10,14H2.
What are the key properties of 3-naphthalen-1-yloxypropan-1-amine?
3-naphthalen-1-yloxypropan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxypropan-1-amine is sourced from PubChem (CID 14566707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).