4-(4-methoxyphenyl)-4-phenylbutan-1-imine

C17H19NO — CID 87177631

IUPAC4-(4-methoxyphenyl)-4-phenylbutan-1-imine
SMILES[H]/N=C/CCC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO/c1-19-16-11-9-15(10-12-16)17(8-5-13-18)14-6-3-2-4-7-14/h2-4,6-7,9-13,17-18H,5,8H2,1H3/b18-13+
InChIKeyVJJUKUPKHAFZFT-QGOAFFKASA-N
MW253.35 g/mol
LogP4.26
Rot. Bonds6

About 4-(4-methoxyphenyl)-4-phenylbutan-1-imine

4-(4-methoxyphenyl)-4-phenylbutan-1-imine (PubChem CID 87177631) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-phenylbutan-1-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-phenylbutan-1-imine
PubChem CID87177631
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-(4-methoxyphenyl)-4-phenylbutan-1-imine
SMILES[H]/N=C/CCC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO/c1-19-16-11-9-15(10-12-16)17(8-5-13-18)14-6-3-2-4-7-14/h2-4,6-7,9-13,17-18H,5,8H2,1H3/b18-13+
InChIKeyVJJUKUPKHAFZFT-QGOAFFKASA-N
XLogP4.26
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-4-phenylbutan-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-phenylbutan-1-imine?
The IUPAC name of 4-(4-methoxyphenyl)-4-phenylbutan-1-imine (CID 87177631) is 4-(4-methoxyphenyl)-4-phenylbutan-1-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-phenylbutan-1-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-4-phenylbutan-1-imine is [H]/N=C/CCC(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-phenylbutan-1-imine?
The InChIKey is VJJUKUPKHAFZFT-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19NO/c1-19-16-11-9-15(10-12-16)17(8-5-13-18)14-6-3-2-4-7-14/h2-4,6-7,9-13,17-18H,5,8H2,1H3/b18-13+.
What are the key properties of 4-(4-methoxyphenyl)-4-phenylbutan-1-imine?
4-(4-methoxyphenyl)-4-phenylbutan-1-imine has a molecular weight of 253.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-phenylbutan-1-imine is sourced from PubChem (CID 87177631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).