5-methyl-2-(2,4,5-trifluorophenyl)aniline

C13H10F3N — CID 82766150

IUPAC5-methyl-2-(2,4,5-trifluorophenyl)aniline
SMILESCc1ccc(-c2cc(F)c(F)cc2F)c(N)c1
InChIInChI=1S/C13H10F3N/c1-7-2-3-8(13(17)4-7)9-5-11(15)12(16)6-10(9)14/h2-6H,17H2,1H3
InChIKeyFTCPTHLVEDKWOF-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.66
Rot. Bonds1

About 5-methyl-2-(2,4,5-trifluorophenyl)aniline

5-methyl-2-(2,4,5-trifluorophenyl)aniline (PubChem CID 82766150) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-methyl-2-(2,4,5-trifluorophenyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(2,4,5-trifluorophenyl)aniline
PubChem CID82766150
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name5-methyl-2-(2,4,5-trifluorophenyl)aniline
SMILESCc1ccc(-c2cc(F)c(F)cc2F)c(N)c1
InChIInChI=1S/C13H10F3N/c1-7-2-3-8(13(17)4-7)9-5-11(15)12(16)6-10(9)14/h2-6H,17H2,1H3
InChIKeyFTCPTHLVEDKWOF-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
CID 81274762
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561
2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
CID 172676635
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
CID 107289642
2-fluoro-4-methylaniline;hydrochloride
CID 139976919
2-(2-fluoro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674944
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-amine
CID 83107735
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
2-(2-ethoxyphenyl)-5-methylaniline
CID 82766449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,4,5-trifluorophenyl)aniline?
The IUPAC name of 5-methyl-2-(2,4,5-trifluorophenyl)aniline (CID 82766150) is 5-methyl-2-(2,4,5-trifluorophenyl)aniline.
What is the SMILES notation for 5-methyl-2-(2,4,5-trifluorophenyl)aniline?
The canonical SMILES for 5-methyl-2-(2,4,5-trifluorophenyl)aniline is Cc1ccc(-c2cc(F)c(F)cc2F)c(N)c1.
What is the InChIKey of 5-methyl-2-(2,4,5-trifluorophenyl)aniline?
The InChIKey is FTCPTHLVEDKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c1-7-2-3-8(13(17)4-7)9-5-11(15)12(16)6-10(9)14/h2-6H,17H2,1H3.
What are the key properties of 5-methyl-2-(2,4,5-trifluorophenyl)aniline?
5-methyl-2-(2,4,5-trifluorophenyl)aniline has a molecular weight of 237.22 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,4,5-trifluorophenyl)aniline is sourced from PubChem (CID 82766150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).