3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline

C11H12F3N — CID 123932964

IUPAC3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N/c1-15-10-5-8(7-2-3-7)4-9(6-10)11(12,13)14/h4-7,15H,2-3H2,1H3
InChIKeyATGAYORYZWUNHI-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.62
Rot. Bonds2

About 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline

3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline (PubChem CID 123932964) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline
PubChem CID123932964
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline
SMILESCNc1cc(C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3N/c1-15-10-5-8(7-2-3-7)4-9(6-10)11(12,13)14/h4-7,15H,2-3H2,1H3
InChIKeyATGAYORYZWUNHI-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline (CID 123932964) is 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline is CNc1cc(C2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline?
The InChIKey is ATGAYORYZWUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-15-10-5-8(7-2-3-7)4-9(6-10)11(12,13)14/h4-7,15H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline?
3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline has a molecular weight of 215.22 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 123932964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).