N-(4-fluoro-2-methylphenoxy)-3-methylaniline

C14H14FNO — CID 150638092

IUPACN-(4-fluoro-2-methylphenoxy)-3-methylaniline
SMILESCc1cccc(NOc2ccc(F)cc2C)c1
InChIInChI=1S/C14H14FNO/c1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2/h3-9,16H,1-2H3
InChIKeyIZHUQZSEUMGHNL-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.85
Rot. Bonds3

About N-(4-fluoro-2-methylphenoxy)-3-methylaniline

N-(4-fluoro-2-methylphenoxy)-3-methylaniline (PubChem CID 150638092) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenoxy)-3-methylaniline.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenoxy)-3-methylaniline
PubChem CID150638092
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC NameN-(4-fluoro-2-methylphenoxy)-3-methylaniline
SMILESCc1cccc(NOc2ccc(F)cc2C)c1
InChIInChI=1S/C14H14FNO/c1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2/h3-9,16H,1-2H3
InChIKeyIZHUQZSEUMGHNL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluoro-2-methylphenoxy)-3-methylaniline 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-fluoro-2-methylphenoxy)-3-methylaniline?
The IUPAC name of N-(4-fluoro-2-methylphenoxy)-3-methylaniline (CID 150638092) is N-(4-fluoro-2-methylphenoxy)-3-methylaniline.
What is the SMILES notation for N-(4-fluoro-2-methylphenoxy)-3-methylaniline?
The canonical SMILES for N-(4-fluoro-2-methylphenoxy)-3-methylaniline is Cc1cccc(NOc2ccc(F)cc2C)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenoxy)-3-methylaniline?
The InChIKey is IZHUQZSEUMGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2/h3-9,16H,1-2H3.
What are the key properties of N-(4-fluoro-2-methylphenoxy)-3-methylaniline?
N-(4-fluoro-2-methylphenoxy)-3-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenoxy)-3-methylaniline is sourced from PubChem (CID 150638092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).