N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid

C11H14F3NO2 — CID 86157274

IUPACN,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H13N.C2HF3O2/c1-10(2)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7H,8H2,1-2H3;(H,6,7)
InChIKeyYHGSDLJRAAWAKI-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.38
Rot. Bonds2

About N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid

N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 86157274) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID86157274
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H13N.C2HF3O2/c1-10(2)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7H,8H2,1-2H3;(H,6,7)
InChIKeyYHGSDLJRAAWAKI-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid (CID 86157274) is N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid is CN(C)Cc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is YHGSDLJRAAWAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2HF3O2/c1-10(2)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7H,8H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 249.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86157274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).