5-(3-chlorophenyl)-2-fluoro-4-methylaniline

C13H11ClFN — CID 168928680

IUPAC5-(3-chlorophenyl)-2-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClFN/c1-8-5-12(15)13(16)7-11(8)9-3-2-4-10(14)6-9/h2-7H,16H2,1H3
InChIKeyBOEMTKHKTXAOHI-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.04
Rot. Bonds1

About 5-(3-chlorophenyl)-2-fluoro-4-methylaniline

5-(3-chlorophenyl)-2-fluoro-4-methylaniline (PubChem CID 168928680) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-fluoro-4-methylaniline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-fluoro-4-methylaniline
PubChem CID168928680
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name5-(3-chlorophenyl)-2-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C13H11ClFN/c1-8-5-12(15)13(16)7-11(8)9-3-2-4-10(14)6-9/h2-7H,16H2,1H3
InChIKeyBOEMTKHKTXAOHI-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

3-(3-chlorophenyl)-2,6-difluoroaniline
CID 165455763
2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
CID 68764353
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
2,4-difluoro-5-(3-methylphenyl)aniline
CID 164576434
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
5-(3-chlorophenyl)-2,3-difluoroaniline
CID 169493264
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one
CID 168930193
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-fluoro-4-methylaniline?
The IUPAC name of 5-(3-chlorophenyl)-2-fluoro-4-methylaniline (CID 168928680) is 5-(3-chlorophenyl)-2-fluoro-4-methylaniline.
What is the SMILES notation for 5-(3-chlorophenyl)-2-fluoro-4-methylaniline?
The canonical SMILES for 5-(3-chlorophenyl)-2-fluoro-4-methylaniline is Cc1cc(F)c(N)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-fluoro-4-methylaniline?
The InChIKey is BOEMTKHKTXAOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-8-5-12(15)13(16)7-11(8)9-3-2-4-10(14)6-9/h2-7H,16H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-2-fluoro-4-methylaniline?
5-(3-chlorophenyl)-2-fluoro-4-methylaniline 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-(3-chlorophenyl)-2-fluoro-4-methylaniline is sourced from PubChem (CID 168928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).