N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine

C23H32N2O — CID 173416033

IUPACN,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine
SMILESCCN(CC)CCON=C(CCCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C23H32N2O/c1-4-25(5-2)18-19-26-24-23(22-16-14-20(3)15-17-22)13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-17H,4-5,9,12-13,18-19H2,1-3H3
InChIKeyJQFXVGIOGAUQRO-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.08
Rot. Bonds11

About N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine

N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine (PubChem CID 173416033) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine
PubChem CID173416033
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine
SMILESCCN(CC)CCON=C(CCCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C23H32N2O/c1-4-25(5-2)18-19-26-24-23(22-16-14-20(3)15-17-22)13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-17H,4-5,9,12-13,18-19H2,1-3H3
InChIKeyJQFXVGIOGAUQRO-UHFFFAOYSA-N
XLogP5.08
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.08
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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Related Compounds

N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
2-(diethylamino)ethyl 4-[3-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]propyl]benzoate
CID 24835252
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine (CID 173416033) is N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine is CCN(CC)CCON=C(CCCc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine?
The InChIKey is JQFXVGIOGAUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-25(5-2)18-19-26-24-23(22-16-14-20(3)15-17-22)13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-17H,4-5,9,12-13,18-19H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine?
N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine has a molecular weight of 352.52 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine is sourced from PubChem (CID 173416033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).