4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline

C15H14Cl2FNO2 — CID 114487194

IUPAC4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
SMILESCOc1cc(NCc2cccc(Cl)c2F)c(OC)cc1Cl
InChIInChI=1S/C15H14Cl2FNO2/c1-20-13-7-12(14(21-2)6-11(13)17)19-8-9-4-3-5-10(16)15(9)18/h3-7,19H,8H2,1-2H3
InChIKeyVUTZYGXZIWDFLO-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.76
Rot. Bonds5

About 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline

4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline (PubChem CID 114487194) has the molecular formula C15H14Cl2FNO2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
PubChem CID114487194
Molecular FormulaC15H14Cl2FNO2
Molecular Weight330.19 g/mol
Exact Mass329.04
IUPAC Name4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
SMILESCOc1cc(NCc2cccc(Cl)c2F)c(OC)cc1Cl
InChIInChI=1S/C15H14Cl2FNO2/c1-20-13-7-12(14(21-2)6-11(13)17)19-8-9-4-3-5-10(16)15(9)18/h3-7,19H,8H2,1-2H3
InChIKeyVUTZYGXZIWDFLO-UHFFFAOYSA-N
XLogP4.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2,5-dimethoxyanilino)methyl]-6-fluorophenol
CID 115950931
N-[(3-chloro-2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 114487380
2-[(4-chloro-2,5-dimethoxyanilino)methyl]benzonitrile
CID 29277459
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
3-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-fluoroaniline
CID 43772873
N-[(3-chloro-2-fluorophenyl)methyl]-4-methoxy-3-nitroaniline
CID 114487681
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
N-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine
CID 115751730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline (CID 114487194) is 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline is COc1cc(NCc2cccc(Cl)c2F)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline?
The InChIKey is VUTZYGXZIWDFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2/c1-20-13-7-12(14(21-2)6-11(13)17)19-8-9-4-3-5-10(16)15(9)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline?
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline has a molecular weight of 330.19 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 114487194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).