(E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine

C12H15NO2 — CID 14918155

IUPAC(E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCO/N=C1\CCCc2cc(OC)ccc21
InChIInChI=1S/C12H15NO2/c1-14-10-6-7-11-9(8-10)4-3-5-12(11)13-15-2/h6-8H,3-5H2,1-2H3/b13-12+
InChIKeyVUWWOMAFWYFFIK-OUKQBFOZSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds2

About (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine

(E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 14918155) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID14918155
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCO/N=C1\CCCc2cc(OC)ccc21
InChIInChI=1S/C12H15NO2/c1-14-10-6-7-11-9(8-10)4-3-5-12(11)13-15-2/h6-8H,3-5H2,1-2H3/b13-12+
InChIKeyVUWWOMAFWYFFIK-OUKQBFOZSA-N
XLogP2.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 14918155) is (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine is CO/N=C1\CCCc2cc(OC)ccc21.
What is the InChIKey of (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is VUWWOMAFWYFFIK-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-14-10-6-7-11-9(8-10)4-3-5-12(11)13-15-2/h6-8H,3-5H2,1-2H3/b13-12+.
What are the key properties of (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 205.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 14918155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).