[4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine

C15H22N2O — CID 59462820

IUPAC[4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine
SMILES[H]/N=C(/c1ccc(CC(C)C)cc1)N1CCOCC1
InChIInChI=1S/C15H22N2O/c1-12(2)11-13-3-5-14(6-4-13)15(16)17-7-9-18-10-8-17/h3-6,12,16H,7-11H2,1-2H3/b16-15-
InChIKeyMXKKBDJSVYOIBS-NXVVXOECSA-N
MW246.35 g/mol
LogP2.54
Rot. Bonds3

About [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine

[4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine (PubChem CID 59462820) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine
PubChem CID59462820
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine
SMILES[H]/N=C(/c1ccc(CC(C)C)cc1)N1CCOCC1
InChIInChI=1S/C15H22N2O/c1-12(2)11-13-3-5-14(6-4-13)15(16)17-7-9-18-10-8-17/h3-6,12,16H,7-11H2,1-2H3/b16-15-
InChIKeyMXKKBDJSVYOIBS-NXVVXOECSA-N
XLogP2.54
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine?
The IUPAC name of [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine (CID 59462820) is [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine is [H]/N=C(/c1ccc(CC(C)C)cc1)N1CCOCC1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine?
The InChIKey is MXKKBDJSVYOIBS-NXVVXOECSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)11-13-3-5-14(6-4-13)15(16)17-7-9-18-10-8-17/h3-6,12,16H,7-11H2,1-2H3/b16-15-.
What are the key properties of [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine?
[4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine has a molecular weight of 246.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-morpholin-4-ylmethanimine is sourced from PubChem (CID 59462820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).