2-methyl-4-[4-(trifluoromethyl)phenyl]aniline

C14H12F3N — CID 23005194

IUPAC2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C14H12F3N/c1-9-8-11(4-7-13(9)18)10-2-5-12(6-3-10)14(15,16)17/h2-8H,18H2,1H3
InChIKeyHXKLLDMKNWBLRW-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.26
Rot. Bonds1

About 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline

2-methyl-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 23005194) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID23005194
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C14H12F3N/c1-9-8-11(4-7-13(9)18)10-2-5-12(6-3-10)14(15,16)17/h2-8H,18H2,1H3
InChIKeyHXKLLDMKNWBLRW-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline (CID 23005194) is 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline is Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is HXKLLDMKNWBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-8-11(4-7-13(9)18)10-2-5-12(6-3-10)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
2-methyl-4-[4-(trifluoromethyl)phenyl]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-methyl-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 23005194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).