3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline

C14H13ClFNO — CID 114847555

IUPAC3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H13ClFNO/c1-9-2-5-12(17)7-14(9)18-8-10-3-4-11(15)6-13(10)16/h2-7H,8,17H2,1H3
InChIKeyPWNWEYCXRIKJRW-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

About 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline

3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline (PubChem CID 114847555) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
PubChem CID114847555
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H13ClFNO/c1-9-2-5-12(17)7-14(9)18-8-10-3-4-11(15)6-13(10)16/h2-7H,8,17H2,1H3
InChIKeyPWNWEYCXRIKJRW-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline 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

3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
CID 64768695
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
4-[(4-chloro-2-methylphenoxy)methyl]-3-fluorobenzenecarbothioamide
CID 29032942
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
CID 103059224

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline (CID 114847555) is 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline is Cc1ccc(N)cc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline?
The InChIKey is PWNWEYCXRIKJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-2-5-12(17)7-14(9)18-8-10-3-4-11(15)6-13(10)16/h2-7H,8,17H2,1H3.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline?
3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline has a molecular weight of 265.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline is sourced from PubChem (CID 114847555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).