3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline

C15H16FNO — CID 62018326

IUPAC3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-10-3-8-14(17)11(2)15(10)18-9-12-4-6-13(16)7-5-12/h3-8H,9,17H2,1-2H3
InChIKeyQBINHHLIGIFKND-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.60
Rot. Bonds3

About 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline

3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline (PubChem CID 62018326) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
PubChem CID62018326
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H16FNO/c1-10-3-8-14(17)11(2)15(10)18-9-12-4-6-13(16)7-5-12/h3-8H,9,17H2,1-2H3
InChIKeyQBINHHLIGIFKND-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-fluorophenoxy)methyl]-2-methylaniline
CID 117221912
2-[4-[(2,3,6-trimethylphenoxy)methyl]phenyl]ethanamine
CID 105350788
2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,4-dimethylaniline
CID 62019074
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
CID 114524612
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline (CID 62018326) is 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline is Cc1ccc(N)c(C)c1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline?
The InChIKey is QBINHHLIGIFKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-8-14(17)11(2)15(10)18-9-12-4-6-13(16)7-5-12/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline?
3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline has a molecular weight of 245.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline is sourced from PubChem (CID 62018326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).