1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine

C17H18FNO — CID 73447746

IUPAC1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
SMILESCCCC(=NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-2-6-17(15-9-11-16(18)12-10-15)19-20-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3
InChIKeyMFKCRZCWDMFWLE-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine

1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine (PubChem CID 73447746) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
PubChem CID73447746
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
SMILESCCCC(=NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-2-6-17(15-9-11-16(18)12-10-15)19-20-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3
InChIKeyMFKCRZCWDMFWLE-UHFFFAOYSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.55
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 1-(4-fluorophenyl)-N-phenylmethoxybutan-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 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine (CID 73447746) is 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine is CCCC(=NOCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
The InChIKey is MFKCRZCWDMFWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-6-17(15-9-11-16(18)12-10-15)19-20-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine has a molecular weight of 271.34 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine is sourced from PubChem (CID 73447746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).