1-(3-methoxyphenyl)-N-phenylmethanimine

C14H13NO — CID 555084

IUPAC1-(3-methoxyphenyl)-N-phenylmethanimine
SMILESCOc1cccc(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H13NO/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-11H,1H3/b15-11+
InChIKeyVJHZSENXMPQTOD-RVDMUPIBSA-N
MW211.26 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-methoxyphenyl)-N-phenylmethanimine

1-(3-methoxyphenyl)-N-phenylmethanimine (PubChem CID 555084) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-phenylmethanimine
PubChem CID555084
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(3-methoxyphenyl)-N-phenylmethanimine
SMILESCOc1cccc(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H13NO/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-11H,1H3/b15-11+
InChIKeyVJHZSENXMPQTOD-RVDMUPIBSA-N
XLogP3.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(3-methoxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-phenylmethanimine (CID 555084) is 1-(3-methoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-phenylmethanimine is COc1cccc(/C=N/c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-phenylmethanimine?
The InChIKey is VJHZSENXMPQTOD-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NO/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-11H,1H3/b15-11+.
What are the key properties of 1-(3-methoxyphenyl)-N-phenylmethanimine?
1-(3-methoxyphenyl)-N-phenylmethanimine has a molecular weight of 211.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 555084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).