N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline

C12H14F3N — CID 174331105

IUPACN,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESCN(C)c1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C12H14F3N/c1-16(2)10-5-3-9(4-6-10)11(7-8-11)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyOQJGXZVAOQFYQL-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.35
Rot. Bonds2

About N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline

N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 174331105) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline
PubChem CID174331105
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESCN(C)c1ccc(C2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C12H14F3N/c1-16(2)10-5-3-9(4-6-10)11(7-8-11)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyOQJGXZVAOQFYQL-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline (CID 174331105) is N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline is CN(C)c1ccc(C2(C(F)(F)F)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline?
The InChIKey is OQJGXZVAOQFYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-16(2)10-5-3-9(4-6-10)11(7-8-11)12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline?
N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 229.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 174331105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).