2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline

C13H10Cl2FN — CID 56618086

IUPAC2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
SMILESCc1ccc(F)c(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c1-8-5-6-11(16)12(7-8)17-13-9(14)3-2-4-10(13)15/h2-7,17H,1H3
InChIKeyIBMRUBNXGRAHMS-UHFFFAOYSA-N
MW270.13 g/mol
LogP5.18
Rot. Bonds2

About 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline

2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline (PubChem CID 56618086) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
PubChem CID56618086
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
SMILESCc1ccc(F)c(Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c1-8-5-6-11(16)12(7-8)17-13-9(14)3-2-4-10(13)15/h2-7,17H,1H3
InChIKeyIBMRUBNXGRAHMS-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.13
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
CID 57434772
2-(2,6-dichloroanilino)-5-methylbenzenecarbothioamide
CID 107929067
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
CID 59354536
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
2-chloro-1-fluoro-4-methylbenzene;1-fluoro-3-methylbenzene
CID 143200692
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline?
The IUPAC name of 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline (CID 56618086) is 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline is Cc1ccc(F)c(Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline?
The InChIKey is IBMRUBNXGRAHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c1-8-5-6-11(16)12(7-8)17-13-9(14)3-2-4-10(13)15/h2-7,17H,1H3.
What are the key properties of 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline?
2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline has a molecular weight of 270.13 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline is sourced from PubChem (CID 56618086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).