N-[(4-fluorophenyl)methoxy]-N-methylaniline

C14H14FNO — CID 87539349

IUPACN-[(4-fluorophenyl)methoxy]-N-methylaniline
SMILESCN(OCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H14FNO/c1-16(14-5-3-2-4-6-14)17-11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
InChIKeyDCYDXEWPFKWSBF-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds4

About N-[(4-fluorophenyl)methoxy]-N-methylaniline

N-[(4-fluorophenyl)methoxy]-N-methylaniline (PubChem CID 87539349) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methoxy]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methoxy]-N-methylaniline
PubChem CID87539349
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC NameN-[(4-fluorophenyl)methoxy]-N-methylaniline
SMILESCN(OCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H14FNO/c1-16(14-5-3-2-4-6-14)17-11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
InChIKeyDCYDXEWPFKWSBF-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]-N-methylaniline?
The IUPAC name of N-[(4-fluorophenyl)methoxy]-N-methylaniline (CID 87539349) is N-[(4-fluorophenyl)methoxy]-N-methylaniline.
What is the SMILES notation for N-[(4-fluorophenyl)methoxy]-N-methylaniline?
The canonical SMILES for N-[(4-fluorophenyl)methoxy]-N-methylaniline is CN(OCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methoxy]-N-methylaniline?
The InChIKey is DCYDXEWPFKWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-16(14-5-3-2-4-6-14)17-11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methoxy]-N-methylaniline?
N-[(4-fluorophenyl)methoxy]-N-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.39, 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]-N-methylaniline is sourced from PubChem (CID 87539349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).