4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline

C14H13ClFNO — CID 102619550

IUPAC4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C14H13ClFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(16)2-7-14(10)15/h2-8,17H,9H2,1H3
InChIKeyOGWBNMCALNRWSY-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.10
Rot. Bonds4

About 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline

4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline (PubChem CID 102619550) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
PubChem CID102619550
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C14H13ClFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(16)2-7-14(10)15/h2-8,17H,9H2,1H3
InChIKeyOGWBNMCALNRWSY-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[(2-chloro-5-fluorophenyl)methoxy]-N-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

1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
CID 102702452
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline (CID 102619550) is 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline is CNc1ccc(OCc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline?
The InChIKey is OGWBNMCALNRWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(16)2-7-14(10)15/h2-8,17H,9H2,1H3.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline?
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline has a molecular weight of 265.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline is sourced from PubChem (CID 102619550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).