(4-tert-butylphenyl)-morpholin-4-ylmethanimine

C15H22N2O — CID 23384251

IUPAC(4-tert-butylphenyl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/c1ccc(C(C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C15H22N2O/c1-15(2,3)13-6-4-12(5-7-13)14(16)17-8-10-18-11-9-17/h4-7,16H,8-11H2,1-3H3/b16-14-
InChIKeyBJHXRLGQENAVGF-PEZBUJJGSA-N
MW246.35 g/mol
LogP2.64
Rot. Bonds1

About (4-tert-butylphenyl)-morpholin-4-ylmethanimine

(4-tert-butylphenyl)-morpholin-4-ylmethanimine (PubChem CID 23384251) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-morpholin-4-ylmethanimine
PubChem CID23384251
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-tert-butylphenyl)-morpholin-4-ylmethanimine
SMILES[H]/N=C(/c1ccc(C(C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C15H22N2O/c1-15(2,3)13-6-4-12(5-7-13)14(16)17-8-10-18-11-9-17/h4-7,16H,8-11H2,1-3H3/b16-14-
InChIKeyBJHXRLGQENAVGF-PEZBUJJGSA-N
XLogP2.64
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.64
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-tert-butylphenyl)-morpholin-4-ylmethanimine?
The IUPAC name of (4-tert-butylphenyl)-morpholin-4-ylmethanimine (CID 23384251) is (4-tert-butylphenyl)-morpholin-4-ylmethanimine.
What is the SMILES notation for (4-tert-butylphenyl)-morpholin-4-ylmethanimine?
The canonical SMILES for (4-tert-butylphenyl)-morpholin-4-ylmethanimine is [H]/N=C(/c1ccc(C(C)(C)C)cc1)N1CCOCC1.
What is the InChIKey of (4-tert-butylphenyl)-morpholin-4-ylmethanimine?
The InChIKey is BJHXRLGQENAVGF-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)13-6-4-12(5-7-13)14(16)17-8-10-18-11-9-17/h4-7,16H,8-11H2,1-3H3/b16-14-.
What are the key properties of (4-tert-butylphenyl)-morpholin-4-ylmethanimine?
(4-tert-butylphenyl)-morpholin-4-ylmethanimine has a molecular weight of 246.35 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-morpholin-4-ylmethanimine is sourced from PubChem (CID 23384251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).