2-naphthalen-1-yloxyethanamine

C12H13NO — CID 14519851

IUPAC2-naphthalen-1-yloxyethanamine
SMILESNCCOc1cccc2ccccc12
InChIInChI=1S/C12H13NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2
InChIKeyBRBZLKKWMHCRNZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.18
Rot. Bonds3

About 2-naphthalen-1-yloxyethanamine

2-naphthalen-1-yloxyethanamine (PubChem CID 14519851) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyethanamine.

Molecular Properties

Compound Name2-naphthalen-1-yloxyethanamine
PubChem CID14519851
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-naphthalen-1-yloxyethanamine
SMILESNCCOc1cccc2ccccc12
InChIInChI=1S/C12H13NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2
InChIKeyBRBZLKKWMHCRNZ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyethanamine?
The IUPAC name of 2-naphthalen-1-yloxyethanamine (CID 14519851) is 2-naphthalen-1-yloxyethanamine.
What is the SMILES notation for 2-naphthalen-1-yloxyethanamine?
The canonical SMILES for 2-naphthalen-1-yloxyethanamine is NCCOc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxyethanamine?
The InChIKey is BRBZLKKWMHCRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2.
What are the key properties of 2-naphthalen-1-yloxyethanamine?
2-naphthalen-1-yloxyethanamine has a molecular weight of 187.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxyethanamine is sourced from PubChem (CID 14519851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).