N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine

C14H15NO — CID 122377805

IUPACN-(naphthalen-2-ylmethoxy)prop-2-en-1-amine
SMILESC=CCNOCc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-2-9-15-16-11-12-7-8-13-5-3-4-6-14(13)10-12/h2-8,10,15H,1,9,11H2
InChIKeyOYLYZGPGGNUGJX-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.05
Rot. Bonds5

About N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine

N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine (PubChem CID 122377805) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethoxy)prop-2-en-1-amine
PubChem CID122377805
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(naphthalen-2-ylmethoxy)prop-2-en-1-amine
SMILESC=CCNOCc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO/c1-2-9-15-16-11-12-7-8-13-5-3-4-6-14(13)10-12/h2-8,10,15H,1,9,11H2
InChIKeyOYLYZGPGGNUGJX-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(naphthalen-2-ylmethoxy)prop-2-en-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 N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine?
The IUPAC name of N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine (CID 122377805) is N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine?
The canonical SMILES for N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine is C=CCNOCc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine?
The InChIKey is OYLYZGPGGNUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-9-15-16-11-12-7-8-13-5-3-4-6-14(13)10-12/h2-8,10,15H,1,9,11H2.
What are the key properties of N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine?
N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethoxy)prop-2-en-1-amine is sourced from PubChem (CID 122377805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).