2,4-difluoro-5-(3-methylphenyl)aniline

C13H11F2N — CID 164576434

IUPAC2,4-difluoro-5-(3-methylphenyl)aniline
SMILESCc1cccc(-c2cc(N)c(F)cc2F)c1
InChIInChI=1S/C13H11F2N/c1-8-3-2-4-9(5-8)10-6-13(16)12(15)7-11(10)14/h2-7H,16H2,1H3
InChIKeyXNYIBRWSOTUTCJ-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.52
Rot. Bonds1

About 2,4-difluoro-5-(3-methylphenyl)aniline

2,4-difluoro-5-(3-methylphenyl)aniline (PubChem CID 164576434) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,4-difluoro-5-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-5-(3-methylphenyl)aniline
PubChem CID164576434
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name2,4-difluoro-5-(3-methylphenyl)aniline
SMILESCc1cccc(-c2cc(N)c(F)cc2F)c1
InChIInChI=1S/C13H11F2N/c1-8-3-2-4-9(5-8)10-6-13(16)12(15)7-11(10)14/h2-7H,16H2,1H3
InChIKeyXNYIBRWSOTUTCJ-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.52
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-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
3-(2,4-difluoro-5-methylphenyl)aniline
CID 79733075
5-(3-chlorophenyl)-2-fluoro-4-methylaniline
CID 168928680
2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667
2,5-difluoro-4-(4-phenylphenyl)aniline
CID 107615842
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
1-methyl-4-(3-methylphenyl)pyrrol-3-amine
CID 117223577
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
2-fluoro-4-(3-methoxyphenyl)-5-methylaniline
CID 68764353
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(3-methylphenyl)aniline?
The IUPAC name of 2,4-difluoro-5-(3-methylphenyl)aniline (CID 164576434) is 2,4-difluoro-5-(3-methylphenyl)aniline.
What is the SMILES notation for 2,4-difluoro-5-(3-methylphenyl)aniline?
The canonical SMILES for 2,4-difluoro-5-(3-methylphenyl)aniline is Cc1cccc(-c2cc(N)c(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-5-(3-methylphenyl)aniline?
The InChIKey is XNYIBRWSOTUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-8-3-2-4-9(5-8)10-6-13(16)12(15)7-11(10)14/h2-7H,16H2,1H3.
What are the key properties of 2,4-difluoro-5-(3-methylphenyl)aniline?
2,4-difluoro-5-(3-methylphenyl)aniline has a molecular weight of 219.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(3-methylphenyl)aniline is sourced from PubChem (CID 164576434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).