3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline

C14H11ClF3N — CID 129199517

IUPAC3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline
SMILESCc1cc(N)cc(-c2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c1-8-4-9(6-11(19)5-8)12-3-2-10(7-13(12)15)14(16,17)18/h2-7H,19H2,1H3
InChIKeyZCOGVQPADVOUJE-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.92
Rot. Bonds1

About 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline

3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline (PubChem CID 129199517) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline
PubChem CID129199517
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline
SMILESCc1cc(N)cc(-c2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c1-8-4-9(6-11(19)5-8)12-3-2-10(7-13(12)15)14(16,17)18/h2-7H,19H2,1H3
InChIKeyZCOGVQPADVOUJE-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.92
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 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline (CID 129199517) is 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline is Cc1cc(N)cc(-c2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline?
The InChIKey is ZCOGVQPADVOUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-8-4-9(6-11(19)5-8)12-3-2-10(7-13(12)15)14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline?
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline has a molecular weight of 285.70 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylaniline is sourced from PubChem (CID 129199517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).