1-(3-methoxyphenyl)-N-methylmethanimine

C9H11NO — CID 4184059

IUPAC1-(3-methoxyphenyl)-N-methylmethanimine
SMILESC/N=C/c1cccc(OC)c1
InChIInChI=1S/C9H11NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-7H,1-2H3/b10-7+
InChIKeyGMYWIOGIHDHYMK-JXMROGBWSA-N
MW149.19 g/mol
LogP1.74
Rot. Bonds2

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

1-(3-methoxyphenyl)-N-methylmethanimine (PubChem CID 4184059) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methylmethanimine
PubChem CID4184059
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(3-methoxyphenyl)-N-methylmethanimine
SMILESC/N=C/c1cccc(OC)c1
InChIInChI=1S/C9H11NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-7H,1-2H3/b10-7+
InChIKeyGMYWIOGIHDHYMK-JXMROGBWSA-N
XLogP1.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.74
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-methylmethanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methylmethanimine (CID 4184059) is 1-(3-methoxyphenyl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methylmethanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methylmethanimine is C/N=C/c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methylmethanimine?
The InChIKey is GMYWIOGIHDHYMK-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-7H,1-2H3/b10-7+.
What are the key properties of 1-(3-methoxyphenyl)-N-methylmethanimine?
1-(3-methoxyphenyl)-N-methylmethanimine has a molecular weight of 149.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methylmethanimine is sourced from PubChem (CID 4184059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).