ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine

C15H18N2O2 — CID 174906816

IUPACethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine
SMILESCCO.COc1cc(/N=C/c2ccccc2)ccn1
InChIInChI=1S/C13H12N2O.C2H6O/c1-16-13-9-12(7-8-14-13)15-10-11-5-3-2-4-6-11;1-2-3/h2-10H,1H3;3H,2H2,1H3/b15-10+;
InChIKeyLQLRQXUTWRLXCB-GYVLLFFHSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds3

About ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine

ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine (PubChem CID 174906816) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine.

Molecular Properties

Compound Nameethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine
PubChem CID174906816
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine
SMILESCCO.COc1cc(/N=C/c2ccccc2)ccn1
InChIInChI=1S/C13H12N2O.C2H6O/c1-16-13-9-12(7-8-14-13)15-10-11-5-3-2-4-6-11;1-2-3/h2-10H,1H3;3H,2H2,1H3/b15-10+;
InChIKeyLQLRQXUTWRLXCB-GYVLLFFHSA-N
XLogP2.84
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine?
The IUPAC name of ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine (CID 174906816) is ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine.
What is the SMILES notation for ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine?
The canonical SMILES for ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine is CCO.COc1cc(/N=C/c2ccccc2)ccn1.
What is the InChIKey of ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine?
The InChIKey is LQLRQXUTWRLXCB-GYVLLFFHSA-N. The full InChI is InChI=1S/C13H12N2O.C2H6O/c1-16-13-9-12(7-8-14-13)15-10-11-5-3-2-4-6-11;1-2-3/h2-10H,1H3;3H,2H2,1H3/b15-10+;.
What are the key properties of ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine?
ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine has a molecular weight of 258.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-(2-methoxy-4-pyridinyl)-1-phenylmethanimine is sourced from PubChem (CID 174906816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).