N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine

C15H17NO2 — CID 91032557

IUPACN-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine
SMILESCCONC(=COC)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-3-18-16-15(11-17-2)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16H,3H2,1-2H3
InChIKeyTXOHISDRPDFSTN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.33
Rot. Bonds5

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

N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine (PubChem CID 91032557) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine.

Molecular Properties

Compound NameN-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine
PubChem CID91032557
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine
SMILESCCONC(=COC)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-3-18-16-15(11-17-2)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16H,3H2,1-2H3
InChIKeyTXOHISDRPDFSTN-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Oxazolin-2-one, 4-(2-naphthyl)-
CID 118671
1-(Naphthalen-6-yl)ethenamine
CID 21343659
N-Methoxy-2-naphthalenemethanamine
CID 50995316
N-Ethoxy-2-naphthalenemethanamine
CID 53308535
N-Ethoxy-1-naphthalenemethanamine
CID 53308554
N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
CID 123505490
N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethenamine
CID 123805238
(S)-O-ethyl-N-(1-(naphthalen-2-yl)ethyl)hydroxylamine
CID 163358795
actinium;[(Z)-1-naphthalen-2-ylprop-1-enyl]azanide
CID 21343655
Actinium;1-naphthalen-2-ylethenylazanide
CID 21343658
2-(1-Nitroethenyl)naphthalene
CID 21709619
3-naphthalen-1-yl-2H-oxazine
CID 54209924

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine?
The IUPAC name of N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine (CID 91032557) is N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine.
What is the SMILES notation for N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine?
The canonical SMILES for N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine is CCONC(=COC)c1ccc2ccccc2c1.
What is the InChIKey of N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine?
The InChIKey is TXOHISDRPDFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-18-16-15(11-17-2)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16H,3H2,1-2H3.
What are the key properties of N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine?
N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine has a molecular weight of 243.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine is sourced from PubChem (CID 91032557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).