3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline

C15H15ClFNO — CID 144932971

IUPAC3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
SMILESCNc1cccc(Cl)c1COc1ccc(F)cc1C
InChIInChI=1S/C15H15ClFNO/c1-10-8-11(17)6-7-15(10)19-9-12-13(16)4-3-5-14(12)18-2/h3-8,18H,9H2,1-2H3
InChIKeyJUXAMXAUZYGNIB-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds4

About 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline

3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline (PubChem CID 144932971) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
PubChem CID144932971
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
SMILESCNc1cccc(Cl)c1COc1ccc(F)cc1C
InChIInChI=1S/C15H15ClFNO/c1-10-8-11(17)6-7-15(10)19-9-12-13(16)4-3-5-14(12)18-2/h3-8,18H,9H2,1-2H3
InChIKeyJUXAMXAUZYGNIB-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-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

3-chloro-2-[(2,4-difluorophenoxy)methyl]-N-methylaniline;propanal
CID 144933012
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
3-chloro-2-[[4-[(Z)-2-ethylsulfanyl-1-(methylideneamino)prop-1-enyl]-2-methylphenoxy]methyl]-N-methylaniline;formohydrazide
CID 144799641
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline?
The IUPAC name of 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline (CID 144932971) is 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline.
What is the SMILES notation for 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline?
The canonical SMILES for 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline is CNc1cccc(Cl)c1COc1ccc(F)cc1C.
What is the InChIKey of 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline?
The InChIKey is JUXAMXAUZYGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-8-11(17)6-7-15(10)19-9-12-13(16)4-3-5-14(12)18-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline?
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline has a molecular weight of 279.74 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline is sourced from PubChem (CID 144932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).