N-ethoxy-1-naphthalen-1-ylmethanamine

C13H15NO — CID 53308554

IUPACN-ethoxy-1-naphthalen-1-ylmethanamine
SMILESCCONCc1cccc2ccccc12
InChIInChI=1S/C13H15NO/c1-2-15-14-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,2,10H2,1H3
InChIKeyPKUFHNZJADPCRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds4

About N-ethoxy-1-naphthalen-1-ylmethanamine

N-ethoxy-1-naphthalen-1-ylmethanamine (PubChem CID 53308554) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-ethoxy-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-ethoxy-1-naphthalen-1-ylmethanamine
PubChem CID53308554
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-ethoxy-1-naphthalen-1-ylmethanamine
SMILESCCONCc1cccc2ccccc12
InChIInChI=1S/C13H15NO/c1-2-15-14-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,2,10H2,1H3
InChIKeyPKUFHNZJADPCRK-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-ethoxy-1-naphthalen-1-ylmethanamine (CID 53308554) is N-ethoxy-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-ethoxy-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-ethoxy-1-naphthalen-1-ylmethanamine is CCONCc1cccc2ccccc12.
What is the InChIKey of N-ethoxy-1-naphthalen-1-ylmethanamine?
The InChIKey is PKUFHNZJADPCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-15-14-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,2,10H2,1H3.
What are the key properties of N-ethoxy-1-naphthalen-1-ylmethanamine?
N-ethoxy-1-naphthalen-1-ylmethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 53308554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).