N-methoxy-1-naphthalen-2-ylethenamine

C13H13NO — CID 57047007

IUPACN-methoxy-1-naphthalen-2-ylethenamine
SMILESC=C(NOC)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO/c1-10(14-15-2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9,14H,1H2,2H3
InChIKeyDIOGOJIFTDUEEC-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.96
Rot. Bonds3

About N-methoxy-1-naphthalen-2-ylethenamine

N-methoxy-1-naphthalen-2-ylethenamine (PubChem CID 57047007) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-methoxy-1-naphthalen-2-ylethenamine.

Molecular Properties

Compound NameN-methoxy-1-naphthalen-2-ylethenamine
PubChem CID57047007
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-methoxy-1-naphthalen-2-ylethenamine
SMILESC=C(NOC)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO/c1-10(14-15-2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9,14H,1H2,2H3
InChIKeyDIOGOJIFTDUEEC-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-naphthalen-2-ylethenamine?
The IUPAC name of N-methoxy-1-naphthalen-2-ylethenamine (CID 57047007) is N-methoxy-1-naphthalen-2-ylethenamine.
What is the SMILES notation for N-methoxy-1-naphthalen-2-ylethenamine?
The canonical SMILES for N-methoxy-1-naphthalen-2-ylethenamine is C=C(NOC)c1ccc2ccccc2c1.
What is the InChIKey of N-methoxy-1-naphthalen-2-ylethenamine?
The InChIKey is DIOGOJIFTDUEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10(14-15-2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9,14H,1H2,2H3.
What are the key properties of N-methoxy-1-naphthalen-2-ylethenamine?
N-methoxy-1-naphthalen-2-ylethenamine has a molecular weight of 199.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-naphthalen-2-ylethenamine is sourced from PubChem (CID 57047007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).