(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine

C15H22N2O — CID 141288371

IUPAC(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine
SMILESCc1ccc(C)c(/C=N/OCCN2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-13-5-6-14(2)15(11-13)12-16-18-10-9-17-7-3-4-8-17/h5-6,11-12H,3-4,7-10H2,1-2H3/b16-12+
InChIKeyLDVBYNCQPXIXGV-FOWTUZBSSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds5

About (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine

(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine (PubChem CID 141288371) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine.

Molecular Properties

Compound Name(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine
PubChem CID141288371
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine
SMILESCc1ccc(C)c(/C=N/OCCN2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-13-5-6-14(2)15(11-13)12-16-18-10-9-17-7-3-4-8-17/h5-6,11-12H,3-4,7-10H2,1-2H3/b16-12+
InChIKeyLDVBYNCQPXIXGV-FOWTUZBSSA-N
XLogP2.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?
The IUPAC name of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine (CID 141288371) is (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine.
What is the SMILES notation for (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?
The canonical SMILES for (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine is Cc1ccc(C)c(/C=N/OCCN2CCCC2)c1.
What is the InChIKey of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?
The InChIKey is LDVBYNCQPXIXGV-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13-5-6-14(2)15(11-13)12-16-18-10-9-17-7-3-4-8-17/h5-6,11-12H,3-4,7-10H2,1-2H3/b16-12+.
What are the key properties of (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine?
(E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine has a molecular weight of 246.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethoxy)methanimine is sourced from PubChem (CID 141288371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).