2-(2-methylphenyl)-5-(trifluoromethyl)aniline

C14H12F3N — CID 114043492

IUPAC2-(2-methylphenyl)-5-(trifluoromethyl)aniline
SMILESCc1ccccc1-c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H12F3N/c1-9-4-2-3-5-11(9)12-7-6-10(8-13(12)18)14(15,16)17/h2-8H,18H2,1H3
InChIKeyFTEXWBHUQFFKQX-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.26
Rot. Bonds1

About 2-(2-methylphenyl)-5-(trifluoromethyl)aniline

2-(2-methylphenyl)-5-(trifluoromethyl)aniline (PubChem CID 114043492) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(trifluoromethyl)aniline
PubChem CID114043492
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2-(2-methylphenyl)-5-(trifluoromethyl)aniline
SMILESCc1ccccc1-c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H12F3N/c1-9-4-2-3-5-11(9)12-7-6-10(8-13(12)18)14(15,16)17/h2-8H,18H2,1H3
InChIKeyFTEXWBHUQFFKQX-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.26
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-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
5-[2-amino-4-(trifluoromethyl)phenyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 115945516
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
4-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 153325933
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(2-methylphenyl)-5-(trifluoromethyl)aniline (CID 114043492) is 2-(2-methylphenyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2-methylphenyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2-methylphenyl)-5-(trifluoromethyl)aniline is Cc1ccccc1-c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-(2-methylphenyl)-5-(trifluoromethyl)aniline?
The InChIKey is FTEXWBHUQFFKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-4-2-3-5-11(9)12-7-6-10(8-13(12)18)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 2-(2-methylphenyl)-5-(trifluoromethyl)aniline?
2-(2-methylphenyl)-5-(trifluoromethyl)aniline has a molecular weight of 251.25 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 114043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).