5-chloro-2-(5-fluoro-2-methylphenyl)aniline

C13H11ClFN — CID 81274733

IUPAC5-chloro-2-(5-fluoro-2-methylphenyl)aniline
SMILESCc1ccc(F)cc1-c1ccc(Cl)cc1N
InChIInChI=1S/C13H11ClFN/c1-8-2-4-10(15)7-12(8)11-5-3-9(14)6-13(11)16/h2-7H,16H2,1H3
InChIKeyCEGMKYAJGJKCJJ-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.04
Rot. Bonds1

About 5-chloro-2-(5-fluoro-2-methylphenyl)aniline

5-chloro-2-(5-fluoro-2-methylphenyl)aniline (PubChem CID 81274733) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 5-chloro-2-(5-fluoro-2-methylphenyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-fluoro-2-methylphenyl)aniline
PubChem CID81274733
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name5-chloro-2-(5-fluoro-2-methylphenyl)aniline
SMILESCc1ccc(F)cc1-c1ccc(Cl)cc1N
InChIInChI=1S/C13H11ClFN/c1-8-2-4-10(15)7-12(8)11-5-3-9(14)6-13(11)16/h2-7H,16H2,1H3
InChIKeyCEGMKYAJGJKCJJ-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
CID 81274762
5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
CID 81274932
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
CID 143759785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-fluoro-2-methylphenyl)aniline?
The IUPAC name of 5-chloro-2-(5-fluoro-2-methylphenyl)aniline (CID 81274733) is 5-chloro-2-(5-fluoro-2-methylphenyl)aniline.
What is the SMILES notation for 5-chloro-2-(5-fluoro-2-methylphenyl)aniline?
The canonical SMILES for 5-chloro-2-(5-fluoro-2-methylphenyl)aniline is Cc1ccc(F)cc1-c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(5-fluoro-2-methylphenyl)aniline?
The InChIKey is CEGMKYAJGJKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-8-2-4-10(15)7-12(8)11-5-3-9(14)6-13(11)16/h2-7H,16H2,1H3.
What are the key properties of 5-chloro-2-(5-fluoro-2-methylphenyl)aniline?
5-chloro-2-(5-fluoro-2-methylphenyl)aniline has a molecular weight of 235.69 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-fluoro-2-methylphenyl)aniline is sourced from PubChem (CID 81274733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).