(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine

C15H23NO — CID 170685714

IUPAC(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine
SMILESCC/C(C)=N/OCc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H23NO/c1-5-12(3)15-9-7-14(8-10-15)11-17-16-13(4)6-2/h7-10,12H,5-6,11H2,1-4H3/b16-13+
InChIKeyQZEJBMXFAKIOAH-DTQAZKPQSA-N
MW233.35 g/mol
LogP4.50
Rot. Bonds6

About (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine

(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine (PubChem CID 170685714) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine.

Molecular Properties

Compound Name(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine
PubChem CID170685714
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine
SMILESCC/C(C)=N/OCc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H23NO/c1-5-12(3)15-9-7-14(8-10-15)11-17-16-13(4)6-2/h7-10,12H,5-6,11H2,1-4H3/b16-13+
InChIKeyQZEJBMXFAKIOAH-DTQAZKPQSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
CID 123560154
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
1-butan-2-yl-4-(1-chloro-2-methylbutyl)benzene
CID 63430333
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
(4-butan-2-ylphenyl)methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 20826531
4-[(4-butan-2-ylphenoxy)methyl]benzenecarbothioamide
CID 107664941

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine?
The IUPAC name of (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine (CID 170685714) is (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine.
What is the SMILES notation for (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine?
The canonical SMILES for (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine is CC/C(C)=N/OCc1ccc(C(C)CC)cc1.
What is the InChIKey of (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine?
The InChIKey is QZEJBMXFAKIOAH-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12(3)15-9-7-14(8-10-15)11-17-16-13(4)6-2/h7-10,12H,5-6,11H2,1-4H3/b16-13+.
What are the key properties of (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine?
(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine has a molecular weight of 233.35 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine is sourced from PubChem (CID 170685714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).