2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline

C14H12Cl2FN — CID 104726385

IUPAC2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Cl)c(NCc2ccccc2F)cc1Cl
InChIInChI=1S/C14H12Cl2FN/c1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17/h2-7,18H,8H2,1H3
InChIKeyWHWYCZSNBRRCOZ-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.05
Rot. Bonds3

About 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline

2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline (PubChem CID 104726385) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
PubChem CID104726385
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Cl)c(NCc2ccccc2F)cc1Cl
InChIInChI=1S/C14H12Cl2FN/c1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17/h2-7,18H,8H2,1H3
InChIKeyWHWYCZSNBRRCOZ-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 66079324
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline (CID 104726385) is 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline is Cc1cc(Cl)c(NCc2ccccc2F)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline?
The InChIKey is WHWYCZSNBRRCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9-6-12(16)14(7-11(9)15)18-8-10-4-2-3-5-13(10)17/h2-7,18H,8H2,1H3.
What are the key properties of 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline?
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline has a molecular weight of 284.16 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104726385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).