N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine

C11H14FNO — CID 137318700

IUPACN-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine
SMILESCC(C)C=NOCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-9(2)7-13-14-8-10-3-5-11(12)6-4-10/h3-7,9H,8H2,1-2H3
InChIKeyYBIWIADFVQKQLW-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine

N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine (PubChem CID 137318700) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine
PubChem CID137318700
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine
SMILESCC(C)C=NOCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-9(2)7-13-14-8-10-3-5-11(12)6-4-10/h3-7,9H,8H2,1-2H3
InChIKeyYBIWIADFVQKQLW-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.98
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 N-[(4-fluorophenyl)methoxy]-2-methylpropan-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 N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine?
The IUPAC name of N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine (CID 137318700) is N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine.
What is the SMILES notation for N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine?
The canonical SMILES for N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine is CC(C)C=NOCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine?
The InChIKey is YBIWIADFVQKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-9(2)7-13-14-8-10-3-5-11(12)6-4-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine?
N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine has a molecular weight of 195.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methoxy]-2-methylpropan-1-imine is sourced from PubChem (CID 137318700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).