4-chloro-2-(3-fluoro-4-methylphenyl)aniline

C13H11ClFN — CID 115502446

IUPAC4-chloro-2-(3-fluoro-4-methylphenyl)aniline
SMILESCc1ccc(-c2cc(Cl)ccc2N)cc1F
InChIInChI=1S/C13H11ClFN/c1-8-2-3-9(6-12(8)15)11-7-10(14)4-5-13(11)16/h2-7H,16H2,1H3
InChIKeyDHTFXBRSZYGDNN-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.04
Rot. Bonds1

About 4-chloro-2-(3-fluoro-4-methylphenyl)aniline

4-chloro-2-(3-fluoro-4-methylphenyl)aniline (PubChem CID 115502446) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-4-methylphenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-4-methylphenyl)aniline
PubChem CID115502446
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name4-chloro-2-(3-fluoro-4-methylphenyl)aniline
SMILESCc1ccc(-c2cc(Cl)ccc2N)cc1F
InChIInChI=1S/C13H11ClFN/c1-8-2-3-9(6-12(8)15)11-7-10(14)4-5-13(11)16/h2-7H,16H2,1H3
InChIKeyDHTFXBRSZYGDNN-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

4-chloro-2-(3-chloro-4-fluorophenyl)aniline
CID 115504348
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
4-chloro-2-(5-fluoro-3-pyridinyl)aniline
CID 81275393
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
4-chloro-2-naphthalen-2-ylaniline
CID 81275231
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)aniline?
The IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)aniline (CID 115502446) is 4-chloro-2-(3-fluoro-4-methylphenyl)aniline.
What is the SMILES notation for 4-chloro-2-(3-fluoro-4-methylphenyl)aniline?
The canonical SMILES for 4-chloro-2-(3-fluoro-4-methylphenyl)aniline is Cc1ccc(-c2cc(Cl)ccc2N)cc1F.
What is the InChIKey of 4-chloro-2-(3-fluoro-4-methylphenyl)aniline?
The InChIKey is DHTFXBRSZYGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-8-2-3-9(6-12(8)15)11-7-10(14)4-5-13(11)16/h2-7H,16H2,1H3.
What are the key properties of 4-chloro-2-(3-fluoro-4-methylphenyl)aniline?
4-chloro-2-(3-fluoro-4-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 4-chloro-2-(3-fluoro-4-methylphenyl)aniline is sourced from PubChem (CID 115502446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).