N-[(4-fluorophenyl)methoxy]pentan-1-imine

C12H16FNO — CID 137318712

IUPACN-[(4-fluorophenyl)methoxy]pentan-1-imine
SMILESCCCCC=NOCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-3-4-9-14-15-10-11-5-7-12(13)8-6-11/h5-9H,2-4,10H2,1H3
InChIKeyGFCNGKFBUKGFTC-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.52
Rot. Bonds6

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

N-[(4-fluorophenyl)methoxy]pentan-1-imine (PubChem CID 137318712) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methoxy]pentan-1-imine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methoxy]pentan-1-imine
PubChem CID137318712
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(4-fluorophenyl)methoxy]pentan-1-imine
SMILESCCCCC=NOCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-3-4-9-14-15-10-11-5-7-12(13)8-6-11/h5-9H,2-4,10H2,1H3
InChIKeyGFCNGKFBUKGFTC-UHFFFAOYSA-N
XLogP3.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methoxy]pentan-1-imine?
The IUPAC name of N-[(4-fluorophenyl)methoxy]pentan-1-imine (CID 137318712) is N-[(4-fluorophenyl)methoxy]pentan-1-imine.
What is the SMILES notation for N-[(4-fluorophenyl)methoxy]pentan-1-imine?
The canonical SMILES for N-[(4-fluorophenyl)methoxy]pentan-1-imine is CCCCC=NOCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methoxy]pentan-1-imine?
The InChIKey is GFCNGKFBUKGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-4-9-14-15-10-11-5-7-12(13)8-6-11/h5-9H,2-4,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methoxy]pentan-1-imine?
N-[(4-fluorophenyl)methoxy]pentan-1-imine has a molecular weight of 209.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methoxy]pentan-1-imine is sourced from PubChem (CID 137318712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).