(2-ethylphenyl)methanimine

C9H11N — CID 58827978

IUPAC(2-ethylphenyl)methanimine
SMILES[H]/N=C/c1ccccc1CC
InChIInChI=1S/C9H11N/c1-2-8-5-3-4-6-9(8)7-10/h3-7,10H,2H2,1H3/b10-7+
InChIKeyNHCZEPIWUDEPCP-JXMROGBWSA-N
MW133.19 g/mol
LogP2.25
Rot. Bonds2

About (2-ethylphenyl)methanimine

(2-ethylphenyl)methanimine (PubChem CID 58827978) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2-ethylphenyl)methanimine.

Molecular Properties

Compound Name(2-ethylphenyl)methanimine
PubChem CID58827978
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2-ethylphenyl)methanimine
SMILES[H]/N=C/c1ccccc1CC
InChIInChI=1S/C9H11N/c1-2-8-5-3-4-6-9(8)7-10/h3-7,10H,2H2,1H3/b10-7+
InChIKeyNHCZEPIWUDEPCP-JXMROGBWSA-N
XLogP2.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2-ethylphenyl)methanimine?
The IUPAC name of (2-ethylphenyl)methanimine (CID 58827978) is (2-ethylphenyl)methanimine.
What is the SMILES notation for (2-ethylphenyl)methanimine?
The canonical SMILES for (2-ethylphenyl)methanimine is [H]/N=C/c1ccccc1CC.
What is the InChIKey of (2-ethylphenyl)methanimine?
The InChIKey is NHCZEPIWUDEPCP-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11N/c1-2-8-5-3-4-6-9(8)7-10/h3-7,10H,2H2,1H3/b10-7+.
What are the key properties of (2-ethylphenyl)methanimine?
(2-ethylphenyl)methanimine has a molecular weight of 133.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)methanimine is sourced from PubChem (CID 58827978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).